تعداد مقالات: 673

Exploring the Structural and Functional Competence of Spinal Ferrites (AB2O4) for Sensing and Photocatalytic Applications

صفحه 239 - 249   دوره 14    شماره 2
K, Gurushantha S, Shashidhar S, Meena S, Swamy D B, Aruna Kumar K V, Brungesh T, Ramakrishnappa Girish, K.M.

A Computational Study of Pressure-Induced Melting in LaFeO₃: Using DFT and Semi-Empirical Model

صفحه 1 - 7   دوره 14    شماره 1
Srivastava, Abhay Prakash Pandey, Brijesh Kumar

Synthesis, SC-XRD, HSA, DFT Calculations, and Molecular Docking Studies of a New CuI Complex Bearing the Bidentate Schiff Base Derived from Trimethylenediamine and 4-Cyanobenzaldehyde

صفحه 9 - 27   دوره 14    شماره 1
Kargar, H. Abyar, F. Munawar, K.S. Tahir, M.N. Fallah-Mehrjardi, M. Acar, E. Dege, N. Ashfaq, M.

In-situ Polymerization of (Acrylamide/bisacrylamide)/bentonite Composites and their Application for Dye Removal

صفحه 29 - 42   دوره 14    شماره 1
Bouras, Oussama Hocine, Tayeb Belaid, Abdelali Mebarki, Zeyneb Benhabib, Karim Benabadji, Kamel Ismet Bouras, Brahim Kahouadji, Chaima

A Comprehensive Theoretical Analysis of Carmustine Interaction with Graphene and Boron Carbon Nitride Nanoflakes: Implications of Solvent Dynamics from DFT and AIM Studies

صفحه 43 - 59   دوره 14    شماره 1
Rezaei Sameti, Mahdi Nikkho, Khadigeh

Benchmarking Density Functional Theory Methods for Proton Affinity Calculations of Amines

صفحه 61 - 70   دوره 14    شماره 1
Zamani, Fatemeh Valadbeigi, Younes

Pressure-Dependent Structural, Mechanical, and Thermal Behavior of Zr₅₀.₅Ti₄.₈Cu₁₉.₀Ni₁₁.₄Al₁₄.₃ Bulk Metallic Glass: A DFT and Equation of State Study

صفحه 71 - 85   دوره 14    شماره 1
Srivastava, Abhay Prakash Pandey, Brijesh Kumar Shanker, Advika

Kinetics and Mechanism of Liquid Phase Oxidation of Organic Compounds in the Presence of Cyclohexanone Transformation Products Acting as Antioxidants

صفحه 87 - 95   دوره 14    شماره 1
Sharaeva, Karina Sergeevna Safarova, Irina Vladimirovna Okhirov, Shokhrukh M Latypova, Elvira Razifovna Gerchikov, Anatoly Yakovlevich

DFT Exploration, MEP, Molecular Docking, and Drug-Likeness as Potent Inhibitors of Monkeypox Viruses of Glucopyranoside Derivatives

صفحه 97 - 117   دوره 14    شماره 1
Kawsar, Dr S M Abe Tabassum, Tasfia

QM Study on the Inhibition Mechanism and Antioxidative Ability of Kaempferol Glucoside as an Inhibitor of the α-Human Carbonic Anhydrase (XII) Cluster Model

صفحه 141 - 158   دوره 14    شماره 1
Kianmehr, Fatemeh Ghiasi, Mina

A One-pot Reaction Involving Furan Derivatives as Potential Corrosion Inhibitors for Carbon Steel in Acidic Environments: Insights from Electrochemical and Computational Analyses

صفحه 159 - 171   دوره 14    شماره 1
Mahmood, Madeeha Al-Baitai, Asmaa Y.

Flavonoids from Algerian Propolis as Potent Antioxidants and ACE2 Receptor Inhibitors: Insights from Molecular Docking, ADME-Tox Prediction, DFT, and Molecular Dynamics

صفحه 119 - 140   دوره 14    شماره 1
Aimene, Yassine Seridi, Saida Menacer, Rafik Braik, Asma Seridi, Achour

Eu3+ Ion-doped Lithium Cadmium Orthophosphate Nanopowders for Reddish Orange-emitting Solid-state Lighting Applications

صفحه 173 - 194   دوره 14    شماره 1
Cole, Sandhya Basha, Shaik Azad Naveen Kumar, Basina Veera Srinivasarao, Kuna Daniel, Kodamala Balasubramanyam, Somayajula Venkata

A Magnetic CuFe₂O₄@MXene/g-C₃N₄ Composite for Efficient Visible-Light Degradation of Dyes and Pharmaceuticals

صفحه 195 - 208   دوره 14    شماره 1
Sayadi, Zahra Ghasemin Lemraski, Ensieh Tahmasebi, Zohreh

Design and Computational Assessment of (1H-Pyrazolo[3,4-c] pyridin-5-yl) Sulfonamide Derivatives as Potent Hepatitis B Virus Capsid Assembly Modulators

صفحه 209 - 226   دوره 14    شماره 1
Laoud, Aicha Belafriekh, Abderahmane

Structure-Based Design and Identification of Novel Plasmodium Falciparum Falcipain-2 Binders

صفحه 227 - 237   دوره 14    شماره 1
Roy, Sneha Patra, Smita Maity, Arindam Verma, Harishchandra Rathore, V. Bose, Shobhan Sarkar, Lopamudra Pal, Pinaki Lodha, Sandesh Rajmal Shrivastava, Jyoti Sen, Debanjan

Uneven Distributions of Electrons and Holes in Polycyclic Systems Exposed to Electric Field

صفحه 623 - 630   دوره 13    شماره 4
Hajipour, F. Azami, S. Mohammad

Enhanced Switching Behavior of (Z)-2-Phenyl-4-((phenylamino)methylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one Driven by Hydrogen Transfer

صفحه 631 - 642   دوره 13    شماره 4
Darugar, Vahidreza Akbari, Mahmood Shahin, Fatemeh

TD-DFT, Vibrational Spectra, Molecular Docking, ADMET, and PASS Assessment as Potential Inhibitors of SARS-CoV-2 Alpha and Beta Variants of Uridine Derivatives

صفحه 643 - 668   دوره 13    شماره 4
Hossain, Md. Rithoan Kawsar, S M Abe

Assessment of Several Equations of State for the Calculation of Thermodynamic Coefficients of Solids

صفحه 669 - 676   دوره 13    شماره 4
Pandey, Brijesh Kumar Srivastava, Abhay Prakash Singh, Anod Kumar Srivastava, Reetesh Srivastava, Harish Chandra

Preparation and Characterization of CdS/SnO2 Nanoparticles as Catalyst-degraded Products

صفحه 721 - 729   دوره 13    شماره 4
Radhi, Muhammed Mizher ALAni, Ramzei .R. Al-Mulla, Emad Abbas Jaffar Hussein, Fadhela M. Abdulamir, Yousif Kadhim

Enhancing DSSC Efficiency through Anchoring Group Engineering in D-A-π-A Sensitizers: A TD-DFT Investigation

صفحه 767 - 781   دوره 13    شماره 4
Karim, El Mehdi Sanini, Fatima Errougui, Abdelkbir Bouribab, Amal Touti, Rodouan Chtita, Samir

Solubility of Pharmaceutical Compounds in Organic Solvents Using Artificial Nural Network and Correlation Model

صفحه 567 - 578   دوره 12    شماره 3
Kiani, Masoumeh Akbari, Falamarz Astaneh, Najimeh Behjatmanesh-Ardakania, Reza

Theoretical and Experimental Investigations for Identification of Anaphylactic Lymphoma Kinase inhibitors

صفحه 591 - 620   دوره 12    شماره 3
Jawarkar, Rahul D Sharma, Praveen Jain, Sachin Mali, Suraj N.

Discovery of a Potential Inhibitor Against Lung Cancer: Computational Approaches and Molecular Dynamics Study

صفحه 579 - 589   دوره 12    شماره 3
Karim, El Mehdi ABCHIR, Oussama Nour, Hassan Bennani, Laila El Kouali, MHammed Yamari, Imane Talbi, Mohammed Errougui, Abdelkbir Chtita, Samir

Solubility and Thermodynamics of Clonazepam in (1-Propanol/2-Propanol) and Water Binary Solvent Mixtures at (293.15 to 313.15) K

صفحه 549 - 565   دوره 12    شماره 3
Sheikhi-Sovari, Atefeh Barzegar-Jalali, Mohammad Martinez, Fleming Seyfinejad, Behrouz Rahimpour, Elaheh Jouyban, Abolghasem

Durable Polylactic Acid (PLA)-Based Sustainable Blends and Naringin: Recent Developments, Challenges, and their Properies and Applications

صفحه 621 - 630   دوره 12    شماره 3
Yusop, Rahimi Zainulabdeen, Khalad Ahmed, Dina Ahmed, Hameed Yousif, Emad Ahmed, Ahmed A. Husain, Amani

QSAR Modeling and Molecular Docking Studies of 3,5-Disubstituted Indole Derivatives as Pim1 Inhibitors for Combating Hematological Cancer

صفحه 631 - 645   دوره 12    شماره 3
EL Allouche, Yassine Bouachrine, Mohammed Khalil, Fouad Zaitan, Hicham

Phytochemical Profiling, GC-MS Analysis, In-vitro, and In-silico Aldose Reductase Activity of Coccinia Indica (L.) Fruit Extract: A Step Towards the Management of Hyperglycemia

صفحه 647 - 661   دوره 12    شماره 3
V, Sivakumar M, Thirumurthy A, Mohamed Sadiq G, Gopinath A, Ram Kumar Selvaraj, Sankar

First-Principles Investigation of Structural Stability, Electronic, and Optical Properties of V, Y-Doped, and (V, Y)-Codoped Monoclinic ZrO2

صفحه 663 - 674   دوره 12    شماره 3
Dendane, A. Ameur, Nawal Saidi, Fatiha Dergal, M.

Exploring the Interactions of Natural Flavonoids with COX-2: Insights from Molecular Docking, DFT Analysis, and ADME Calculations

صفحه 675 - 691   دوره 12    شماره 3
Nadia, Lachi Mouna, Cheriet Djadi, Nabila

Exploring Phase Behavior and Thermodynamic Modeling of Ternary System Water + Lactic Acid + Propylene Carbonate at Different Temperatures

صفحه 693 - 707   دوره 12    شماره 3
Shekarsaraee, Sina Shamizad, Farzaneh

A Spectroscopic and Molecular Docking Study on the Interaction of 2ʹ-Hydroxyflavanone with Bovine Serum Albumin

صفحه 709 - 727   دوره 12    شماره 3
Jalan, Ankita Moyon, N Shaemningwar Patar, Madhumita

In Silico Approach for Developing New Anti-Tuberculosis Drug Candidates: 3D-QSAR, Molecular Docking and ADME Studies of Pretomanid Derivatives

صفحه 729 - 743   دوره 12    شماره 3
Laoud, Aicha Elmchichi, Larbi Belafriekh, Abderahmane Bouachrine, Mohammed

Computation of Isobaric Vapor-Liquid Equilibrium (VLE) Data of Methyl Tert-Butyl Ether (MTBE) + Acetic Acid (AA) System

صفحه 745 - 752   دوره 12    شماره 3
Joshi, Kedar Khirsariya, Priyank Dinesh Parsana, Vyomesh M.

Molecular Docking and Molecular Dynamics Simulations of Bendamustine Functionalized Al/B-N/P Nanocages as Potential Inhibitors of Cellular Tumor Antigen

صفحه 753 - 762   دوره 12    شماره 3
Yosefelahi, Roya Behjatmanesh-Ardekani, Reza Madadi Mahani, Nosrat

Band Gap Engineering of TiO2 Anatase through Cobalt and Nitrogen Co-doping: A Periodic Hybrid-DFT Study

صفحه 763 - 770   دوره 12    شماره 3
Behjatmanesh-Ardakani, Reza Moradzadeh, Ahlam

Structural, Optical, and Luminescent Studies of Vanadyl Doped Strontium Tin Phosphate by Solid-state Reaction Method

صفحه 771 - 781   دوره 12    شماره 3
Suresh, Y.V.K. Anjaneyulu, N. Chinna Rajendrakumar, A Chandrasekhar, A. V. Ravikumar, RVSSN

Computational Insights into HVA/β-CD Inclusion Complexes: Thermodynamics, Structural Analysis, and NMR Correlations

صفحه 801 - 819   دوره 12    شماره 3
Bendjeddou, A. Abbaz, T. Villemin, D. Fawzia, Bouallag Nouioua, H. Gouasmia, A.K.

Study of the Anticancer Potential of Cannabidiol Using Computational Methods

صفحه 783 - 800   دوره 12    شماره 3
AISSAOUI, SOUMIA Chtita, Samir Ajana, Mohammed Aziz Hajji, Halima ZAKI, Hanane Alaqarbeh, Marwa Lakhlifi, Tahar BOUACHRINE, Mohammed

Structural and Functional Insights into Fungal Uricases: A Computational Approach

صفحه 837 - 850   دوره 12    شماره 3
Thatikonda, Srilekha Babu, D. John Venkateswarulu, T.C. Nelapati, Anand Kumar N.P.Satish Kumar, Machavarapu Tallapudi, Sruthi

Estimation of the Binding Affinities of Glycogen Phosphorylase Inhibitors by Molecular Docking to Support the Treatment of Type 2 Diabetes

صفحه 821 - 835   دوره 12    شماره 3
Le, Thi Thuy Huong Vo, Nguyen Huy Hoang Pham, Minh Quan Vu, Thien Y Pham, Thuy Linh Pham, Thi Ngoc My Phung, Huong Thi Thu

Understanding the Decomposition Mechanism of Li2O2 in the Cathode of Li-O2 Battery with First Principles Molecular Dynamics

صفحه 677 - 686   دوره 13    شماره 4
Alam, Md. Khorshed Emon, Shahariar Takaba, Hiromitsu

Computational Study of the Competition and Interplay Among Complexes Resulting from the Interaction of Thionyl Fluoride with HSX Molecules (X = F, Cl, Br, and I)

صفحه 687 - 699   دوره 13    شماره 4
Miri, Sara Shiri, Lotfi Abbasi, Yunes Moradkhani, Mohammadmehdi

Spectral Measurements of a Novel Charge Transfer Complex Formed by a Heterocyclic Aromatic Amine and 1,4-Dinitrobenzene: A Combined Experimental and DFT Approach

صفحه 701 - 720   دوره 13    شماره 4
Hadigheh-Rezvan, Vahideh Shamel, Ali Azizi-Balabeigloo, Nasrin Ebrahimzadeh-Rajaei, Gholamreza

Structural, Optical and Morphological Studies of TiO2 Incorporated MgZn2(PO4)2 Nanophosphors by Solid-state Reaction

صفحه 755 - 766   دوره 13    شماره 4
Sumalatha, B Rajyasree, Ch Cole, Sandhya Kumari, K.V.Pavana

Fe3O4/SBA-16-NH2 Nanocomposites: Synthesis, Characterization and Applications as a Phenobarbital Drug Release Systems

صفحه 797 - 816   دوره 13    شماره 4
Fekri, Mohammad Hossein Razavi Mehr, M. Soleymani, S.

Exploring Nonadiabatic Effects in Triatomic Chlorine Dioxide Cation: Conical Intersections and Potential Energy Surfaces

صفحه 817 - 832   دوره 13    شماره 4
Baravardi, Samira Dehestani, Maryam

Density Functional Theory Approach on the Mechanism of Uncatalysed Oxidation of 4-[(4-Methylphenyl) amino]-4-oxobutanoic Acid by Alkaline Potassium Permanganate

صفحه 743 - 754   دوره 13    شماره 4
K S, Ravindra Devi, Anusuya P K, Asha S, Shashidhar Shastry, Vidyavati A K, Gurushantha

Unveiling the Anti-Apoptotic Mechanism of Magnolialide as a Colorectal Cancer Inhibitor via Molecular Modeling, ADMET, and MMGBSA Analysis

صفحه 783 - 796   دوره 13    شماره 4
Duc Nguyen, Hung

Identification of Potent Hepcidin Antagonists for Anemia Treatment: An In Silico Drug Repositioning Study

صفحه 429 - 442   دوره 13    شماره 3
Salhy, Abir Mounadi, Nouh Chtita, Samir Nour, Hassan Rossafi, Bouchra

Introducing New Inhibitors for Ambler Class D of β-lactamase Enzymes by the High Throughput Virtual Screening Method

صفحه 443 - 453   دوره 13    شماره 3
Shahnoorian, Mohammad-Javad Zeyni, Melika Zahedi, Mansour Noohi, Bahare Rajabzadeh, Sina Mahdavi Mortazavi, Seyed-Morteza

Antioxidant Properties of Phenothiazine Derivatives in 1,4-Dioxane Oxidation: Kinetic Study and Reaction’s Mechanism

صفحه 455 - 461   دوره 13    شماره 3
Safarova, Irina Shaymordanova, Gulnaz Maratovna Spivak, Anna Nedopekina, Darya Khalitova, Rezeda Sharaeva, Karina Gerchikov, Anatoly

Structural and Optical Insights of Sm3+ Doped MgCdP2O7 Nanopowders for Solid-State Lighting Applications

صفحه 463 - 478   دوره 13    شماره 3
Cole, Sandhya Basha, Shaik Azad Balasubramanyam, S.V. Rao, K. Srinivasa Daniel, K.

Sustainable Dye Wastewater Treatment: A Review of Effective Strategies and Future Directions

صفحه 479 - 509   دوره 13    شماره 3
Javed, Tariq Abed, May Jaleel Jasim, Layth S. Iftikhar, Rabia Ghzal, Qudsia Zghair, Amna N. Haider, Muhammad Nouman

Phenoxyacetic Herbicide Removal by Biscogniauxia Nummularia Mushroom-Activated Argan Biochar: Biomass Elaboration, Modeling of Sorption and Computational Analysis

صفحه 511 - 531   دوره 13    شماره 3
Mohamed Abdoul-Latif, Fatouma Ainane, Ayoub Abbi, Rania Zoghlami, Rahma Inès Chahboune, Nouzha Achira, Meryem Isemin, Rafail Klimov, Dmitry Jaziri, Sayda Ainane, Tarik

Green Synthesis of Silver Nanoparticles Using Zygophyllum Album L.f. from Ain Salah for Corrosion Inhibition and Phenol Red Dye Removal

صفحه 533 - 543   دوره 13    شماره 3
Dellali, Rachid Benzahi, Khedidja Djahnit, Leila Hamdi, Imane Benzahi, Rabia

TD-DFT Screening of Acrylic-Based Organic D-Π-A Dye Molecules for Reliable and Highly Efficient Dye-Sensitized Solar Cells

صفحه 545 - 556   دوره 13    شماره 3
El Idrissi, Mohamed Boukili, Badreddine Arif, Ahmed Kadour Atouailaa, Mohamed Mustapha, Boulghalat Menas, Ikram Abdelkhalk, Aboulouard Abdessamad, Tounsi

Preparation, Analysis, and Triple Kinetic Parameters Determination for the Thermal Decomposition of a Novel Azido Ether Energetic Plasticizer: Bis(3-azido-2,2-bis(azidomethyl)propoxy) Methane

صفحه 557 - 568   دوره 13    شماره 3
Abrishami, Fatemeh Soufi, Atefeh Khakpour, Pouria Zohari, Narges Zohari Abyar, Fatemeh

Spectroscopic Study of Vitamin B2 and Its Active Forms with SAC-CI Method

صفحه 569 - 582   دوره 13    شماره 3
Abyar, Fatemeh Tabrizi, Leila

Evaluating the Anti-Inflammatory Potential of Thymus Vulgaris Extracts: In Vitro Assessment of Solvent Effects on 5-LOX Inhibition and In Silico Analysis of Bioactive Compounds Interacting with COX Enzymes

صفحه 583 - 605   دوره 13    شماره 3
El Bahi, Salma Maghat, Hamid Lakhlifi, Tahar Boutalaka, Meryem Bouachrine, Mohammed

Molecular Modeling of the Activity Relationship, Molecular Docking, ADMET-Artificial Intelligence, Molecular Dynamic Simulations of Novel Anti-Malaria Agents

صفحه 607 - 621   دوره 13    شماره 3
Panewai, Micheline Koudjina, Simplice Kanhounnon, Wilfried G. Atohoun, Guy Y.S. Kankinou, Selonou Gautier Kpotin, Gaston A.

Computational DFT Study on Donor and Spacer Substitution in Arylamine-Based Push-Pull Molecules for Enhanced Photovoltaic Performance

صفحه 197 - 215   دوره 13    شماره 2
Mouad, Boutkbout Nait Moudou Hayat, EL Ouafy Loubna, Halil Mohamed, Reda Chriyaa Walid, Iken Tarik, EL Ouafy Mouna, Aamor Soukaina, Naciri

Thermodynamic Insights into Vanillin Partition in 1-Decyl-3-Methyl Imidazolium Chloride and Potassium Phosphate Salts Aqueous Two-Phase Systems at (298.15 to 313.15) K

صفحه 217 - 232   دوره 13    شماره 2
Arzideh, Seyyed Mohammad Movagharnejad, Kamyar Pirdashti, Mohsen

Novel Freely Soluble Minoxidil Salt: The Potential of Citric Acid and Tartaric Acid in Solubilization

صفحه 233 - 240   دوره 13    شماره 2
Barghi Janni, Paraa Jouyban, Abolghasem Kouhkan, Mehri Rahimpour, Elaheh Fathi Azarbayjani, Anahita

The Main Chemical Constituents Responsible for the Antidiabetic Properties of the Datura Metel L Plant. Decryption and In-silico Investigations

صفحه 241 - 254   دوره 13    شماره 2
Badaoui, Hassan Ouabane, Mohamed Alaqarbeh, Marwa Elbouhi, Mhamed Choukrad, M’barek Lakhlifi, Tahar Bouachrine, Mohammad

Ab initio Study of the Na+(CO)13 and Na+(N2)13 Complexes

صفحه 255 - 270   دوره 13    شماره 2
Dawoud, Jamal N

Taguchi Optimization for the Efficient Removal of Diazinon by GO-ZnO Nanoparticles

صفحه 285 - 294   دوره 13    شماره 2
Afshar Torbati, Mahdi Ghazi Tabatabaei, Zohreh

Structural, Optical and Photoluminescence Properties of Ti3+ Activated Li2Ba3(P2O7)2 Nanophosphor for Cool White LED Applications

صفحه 271 - 284   دوره 13    شماره 2
Anjaneyulu, N Ch Aswini, Ch Ravikumar, RVSSN Vasu, Gade

In Silico and in Vitro Evaluation of (1H-indol-3-ylmethylene)-pyridin-3-yl-amine as a Potent Inhibitor for VEGFR2, EGFR and Progesterone Receptors

صفحه 295 - 318   دوره 13    شماره 2
Siddiqui, Zohra Pal, Mamta Srivastava, Ruchi Shukla, Vikas K. Prasad, Onkar Maurya, Anushree Shukla, Raj Pathak, Shilendra K. Sinha, Leena

Boehmite Modified with β-Cyclodextrin as an Eco-friendly Adsorbent for the Removal of Toxic Organic Compounds

صفحه 319 - 336   دوره 13    شماره 2
Sohrabnezhad, Shabnam Shabanian, Fatemeh

Optimization of Nickel Removal and Discovery of a New Method Leading to the Synthesis of Nickel Iron Carbonate Hydroxide Hydrate (Fe2Ni2(CO3)(OH)8,2H2O)

صفحه 353 - 363   دوره 13    شماره 2
Chtita, Samir Nour, Hassan Salim, Ahmed

Luminescence Properties of Some (Z-E)-4,4'-bis(2-benzoxazolyl)stilbene Derivatives: Theoretical Study

صفحه 337 - 352   دوره 13    شماره 2
Oftadeh, Mohsen Sohrabi, Nasrin Soleimani Borujerdi, Mohammad Soodbar, Davood

Methylene Blue Dye Removal Using Activated Carbon Derived from Argan Kernels: Experimental and Computational Studies

صفحه 365 - 380   دوره 13    شماره 2
Salim, Ahmed Chraka, Anas Chtita, Samir Tanane, Omar Nour, Hassan A, El Bouari Mohammed, Tahiri

Quantum Computational, Molecular Docking, Dynamics, PASS, and ADMET Analyses of Methyl α-D-Glucopyranoside Derivatives

صفحه 381 - 400   دوره 13    شماره 2
Labib, M. F. Saha, S. Kawsar, Dr S M Abe

Optical Absorption and High-Order Harmonic Generation Spectra of Uric Acid Crystal and Its Metabolites: A TDDFT Study

صفحه 401 - 412   دوره 13    شماره 2
Mohammadtabar, Fatemeh Rajaie Khorasani, Reza Mohammadi-Manesh, Hossein Kazempour, Ali

Experimental and Computational Investigation of Spearmint (Mentha spicata L.) Extract as a Green Corrosion Inhibitor for Copper in a Sulfuric Acid Environment

صفحه 413 - 427   دوره 13    شماره 2
Zulhijayanti, Rini Hamdiani, Saprini Gapsari, Femiana Hadisaputra, Saprizal Siahaan, Jeckson Savalas, Lalu Rudyat Telly

10H-phenothiazin-2-yl-methanamine as an Inhibitor of Radical Chain Oxidation of Organic Compounds. Kinetics and Mechanism of Action

صفحه 1 - 9   دوره 13    شماره 1
Gerchikov, Anatoly Yakovlevich Safarova, Irina Vladimirovna Sharaeva, Karina Sergeyevna Shaymordanova, Gulnaz Maratovna Nedopekina, Daria Alexandrovna Spivak, Anna Yurievna

Novel Chemical Compounds Based on 1,2,3-Triazoles as Potential Mycobacterium Tuberculosis Inhibitors. In-silico Study through Pharmacophore Modeling, Molecular Docking, Molecular Dynamics, and ADMET Predictions

صفحه 11 - 29   دوره 13    شماره 1
Elbouhi, Mhamed Elkamel, Khalid Sbai, Abdelouahid Tabti, Kamal Lakhlifi, Tahar Bouachrine, Mohammad

Transport оf Charge Carriers in Organic Disordered Semicоnductors Based оn Polyacrylоnitrile

صفحه 31 - 36   دوره 13    شماره 1
Karabayeva, Munira Saidkulov, D Kamilov, Sherzod Abdurakhmonov, Umarbek Matyakubov, Bekzod Raximova, Yayra

Lithiated Polyethylene Terephthalate as a Polymer Electrolyte Membrane with High Li-ion Conductivity for Advanced Lithium Batteries

صفحه 37 - 48   دوره 13    شماره 1
Nangir, Mahya A. Rafiee, Marjan Massoudi, Abouzar Javaheri, Masoumeh

In-silico Docking Studies of Synthetic Flavonoids with Crystal Structures of Different Receptors Against Different Types of Cancer

صفحه 49 - 68   دوره 13    شماره 1
Shukla, Nikita Gupta, Aaryan Taneja, Pankaj

Effects of Support Type on Stability of Nickel Catalysts in a Fixed-bed Reactor: Deactivation Modeling Using Hybrid ANN/GPLE Approaches

صفحه 69 - 76   دوره 13    شماره 1
Ghofran Pakdel, Maliheh Mirzaei, Ali Akbar Zohdi, Seyyed Hossein Atashi, Hossein

Measuring and Modeling the Solubility of Naproxen in Isopropanol and Propylene Glycol Mixtures at Various Temperatures

صفحه 77 - 85   دوره 13    شماره 1
Bonabian, Mahsa Rahimpour, Elaheh Hamidi, Aliasghar Jouyban, Abolghasem

Preparation of Fe3O4-HNTs-polypyrrole Nanocomposite for Efficient Adsorption of Cu(II) and Cd(II) from Aqueous Solution

صفحه 87 - 101   دوره 13    شماره 1
Rouhi, Mojtaba Tabar Maleki, Sajjad Maleki, Ali Babamoradi, Mohsen Hajizadeh, Zoleikha Mohammadi, Maryam

The Rheology of Nanolubricants Based on Fe2O3, Al2O3, and ZnO Oxide Nanoparticles: A Comparative Study

صفحه 181 - 189   دوره 11    شماره 2
Harchaoui, Ahmed Mazouzi, Ridha Karas, Abdelkader

The Preparation of FeMo/γ-Al2O3 Extruded Catalyst and Optimization of the Operating Conditions of the ODS of Light Oil Naphtha

صفحه 191 - 202   دوره 11    شماره 2
Beshkoofeh, Sara

Heat-Refluxextraction (HRE) and GC/MS Analysis of Polycyclic Aromatic Hydrocarbons and Their Nitrted Derivatives Adsorbed on Diesel Combustion Engine Prticles

صفحه 203 - 219   دوره 11    شماره 2
Oukebdne, Khalil

Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer

صفحه 221 - 230   دوره 11    شماره 2
Belaid, Abdelali Bouras, Brahim Hocine, Tayeb Tennouga, Lahcene

An Investigation of the Electrophysical Properties of Composite Ceramic Materials Containing Nickel Nanoparticles

صفحه 231 - 239   دوره 11    شماره 2
Vaxitovich, Abdusalom Matyakubov, Bekzod Umarbek, Abduraxmanov Raximova, Yayra Karabayeva, Munira Saidkulov, Doston

Comparative Study of Crystallite Size from XRD and TEM Results for Pure and V2O5 Doped CdO-FePO4 Composite Nanopowders

صفحه 241 - 251   دوره 11    شماره 2
Shaik, Khajamuswareen K, Venkataro Cole, Sandhya

New Insights in the Use of Boron Nitrogen Nanotubes as Cisplatin Nanovector

صفحه 253 - 265   دوره 11    شماره 2
Abdelatif, Mohamed Lamine Sehailia, Moussa Rabahi, Amal Assas, Fatima Zohra Belmiloud, Yamina Brahimi, Meziane Tangour, Bahoueddine

Insights into the Electronic Properties of Coumarins: A Comparative Study

صفحه 267 - 286   دوره 11    شماره 2
Payal, Ritu Giri, R.

Bio-sorption of As(V) from Aqueous Solutions by Thuja Occidentalis Leaves Activated Carbon@Al Embedded Material

صفحه 287 - 297   دوره 11    شماره 2
Lakshmiprasad, Maddi Vaddi, Dhilleswararao

First-Principles Study on Optoelectronic and Photovoltaic Properties in a P3HT/PCBM Complex

صفحه 299 - 313   دوره 11    شماره 2
Aboulouard, Abdelkhalk Atlas, Salima Elghazali, Ahlam Zouitina, Said Idrissi, Mohamed Tounsi, Abdessamad

RSM Optimized Adsorption of Eriochrome Black T Dye onto Alumina Nanoprticles: Isotherm and Kinetics Studies

صفحه 315 - 326   دوره 11    شماره 2
Bello, Abdu Muhammad Muhammad, Naziru Alhassan Hamisu, Abubakar

Enhanced Removal of Brilliant Orange by Poly(4-vinylpyridine)/Acid-Activated Bentonite Composite

صفحه 327 - 339   دوره 11    شماره 2
Tayeb, Hocine Kamel Ismet, Benabadji Ahmed, Benali Brahim, Bouras Assia, Zennaki

Prediction of Novel TRPV1 Antagonist: A Combination of 3D-QSAR, Molecular Docking, MD Simulations and ADMET Prediction

صفحه 353 - 368   دوره 11    شماره 2
Abdelilah, Toughzaoui El Aissouq, Abdellah Youssef, El Ouardi Ouammou, Abdelkrim Oussama, Chedadi Bouachrine, Mohammed

Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis, Characterization, and Theoretical Study of New Peptides Obtained by Opening Reactions of Sulfahydantoins

صفحه 341 - 352   دوره 11    شماره 2
Abdelkrim, Gouasmia Didier, Villemin Djamel, Bouchouk Tahar, Abbaz Mounir, Azouz Amel, Bendjeddou

A Comparative Study Through DFT Investigation and Molecular Docking Studies of Potential Dietary Phytochemicals Against Cancer Target-DNA Topoisomerase III

صفحه 391 - 408   دوره 11    شماره 2
Guin, Mridula Sarkar, Paratpar Srivastava, Vivek

Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation

صفحه 369 - 389   دوره 11    شماره 2
Tabti, Kamal Hajji, Halima Sbai, Abdelouahid Maghat, Hamid Bouachrine, Mohammed Lakhlifi, Tahar

Photo-physical and Morphological Study of Polymers: A Review

صفحه 409 - 424   دوره 11    شماره 2
Zainulabdeen, Khalad Yousif, Emad Ahmed, Dina Jawad, Ali

Nano-based Biodegradable Food Packaging of Vitis-Vinifera Synthesized by PVA/ZnO Nanocomposites

صفحه 449 - 458   دوره 11    شماره 2
Jamali, Abdul Rauf Shaikh, Asif Ahmed Chandio, Ali Dad

Pulsed Plasma-Chemical Synthesis of CuxOy-TiO2 Nanocomposite

صفحه 425 - 436   دوره 11    شماره 2
Lapteva, Olga Kholodnaya, Galina Ponomarev, Denis Sazonov, Roman

Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis and Characterization of Fe2O3/Mn2O3 Magnetic Nanocomposites for the Photocatalytic Degradation of Methylene Blue

صفحه 437 - 447   دوره 11    شماره 2
Dwijenra, Ngakan K.A Patra, Indrajit Ansari, Mohammad Javed Sivaraman, Ramaswamy Alawsi, Taif Jabbar, Abdullah Hasan Saadoon, Nasier Al Mashhadani, Zuhair I. Obaid, Noor H. Mustafa, Yasser Fakri

Structural, Morphological and Physiochemical Analysis of SiC8H20O4/C2H5O/C7H16 Modified Mesoporous Silica Aerogels

صفحه 1 - 8   دوره 11    شماره 1
Akhter, Faheem Jamali, Abdul Rauf Soomro, Dr. Suhail Ahmed Inglezakis, Vassilis J

In-Silico Molecular Docking, Validation, Drug-Likeness, and ADMET Studies of Antiandrogens to Use in the Fight against SARS-CoV-2

صفحه 9 - 21   دوره 11    شماره 1
Saih, Asmae Baba, Hanâ Ghazal, Hassan Saile, Rachid Kettani, Anass Wakrim, Lahcen Ettaki, Imane Bouqdayr, Meryem Hamdi, Salsabil Moussamih, Samya Bennani, Houda

Molecular Structure, Linear, and Nonlinear Optical Properties of Piperazine-1,4-Diium Bis 2,4,6-Trinitrophenolate: A Theoretical Investigation

صفحه 33 - 48   دوره 11    شماره 1
Fatima, Yahia Cherif Hadji, Djebar Nadia, Benhalima

Enhanced Luminescence and Energy Transfer of Bi3+/Dy3+ Co-doped La2Zr2O7 Nanophosphors for pc-LED Applications

صفحه 23 - 31   دوره 11    شماره 1
Basina, V Naveen Kumar Shaik, Esub Basha K, Venkatarao Yerramalla, Nirmal Rajeev K, Ramachandra Rao Cole, Sandhya

Synthesis MnMoP/γ-Al2O3 Oxidative Desulfurization Catalyst and Optimized the Operating Conditions of the Catalytic ODS Method of Condensate

صفحه 49 - 61   دوره 11    شماره 1
Beshkoofeh, Sara

Optimization of Adsorption Process Parameters of Allura Red Removal Using Nanodiopside/Zn-Fe Layered Double Hydroxide Composite by Response Surface Methodology: A Kinetic, Thermodynamic, and Equilibrium Approach

صفحه 63 - 78   دوره 11    شماره 1
Sohrabi, Nasrin Hemmasi, Mansoure Rasouli, Nahid

Performance of a Recirculating Fixed Bed Reactor for the Oxidation of Phenol and Trisubstituted Phenols by Heterogeneous Photocatalytic Process-mechanistic, Kinetic and Substituents Approach

صفحه 79 - 89   دوره 11    شماره 1
Viswanathan, Kavitha

Neutralization Degree Effect on Potentiometric Behavior of Poly(N-octyl-4-vinylpyridinium Bromide)

صفحه 91 - 101   دوره 11    شماره 1
Wassila, Bensalah Lahcene, Tennouga Brahim, Bouras Kouider, Medjahed

Study of Phase Equilibria for the n-Butane + Methanol System from 323.22 K to 423.09 K

صفحه 103 - 116   دوره 11    شماره 1
Akhouri, Binay Prakash Nayak, Prithwi Raj

Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study

صفحه 117 - 127   دوره 11    شماره 1
Samiee, Sara Moosavi, Fatemeh Goharshadi, Elaheh K.

Photocatalytic Degradation of Rhodamine B and Methylene blue Using α-Fe2O3 Nanoparticles

صفحه 139 - 147   دوره 11    شماره 1
Jasim, Saade Abdalkareem Hussein, Baydaa Abed Chem, Cui Kadhim, Mustafa Izzat, Samar Emad Najm, Zainab Mohsen

Study of Molecular Interactions of Fossil Fuels through Acoustic and Volumetric Data

صفحه 129 - 137   دوره 11    شماره 1
Adapala, Venkateswara Rao Tadikonda, Srinivasa Krishna Ramachandran, D Kolla, Narendra Bharat, P

Synthesis, Antifungal Activity, and Molecular Docking Studies of Some New Di-O-Isopentanoyl Glucopyranosides

صفحه 149 - 157   دوره 11    شماره 1
Matin, Priyanka Matin, Mohammed Mahbubul Kumer, Ajoy Rahman, Md. Rezaur

Solamen Vaillanti Mollusk Powder as an Efficient Biosorbent for Removing Cobalt Ions from Aqueous Solution: Kinetic and Equilibrium Studies

صفحه 159 - 169   دوره 11    شماره 1
Salahdin, Omar Dheyauldeen Arenas, Luis Andres Barboza Parra, Rosario Mireya Romero Aravindhan, Surendar Hamza, Thulfeqar Ahmed Abid, Mohammed Kadhem Kzar, Hamzah H. Mohammed, Faraj Ansari, Mohammad Javed Al-Gazally, Moaed E. Uktamov, Khusniddin Fakhriddinovich Aldulaim, Ahmed Kareem Obaid

Removal of Pb(II) Ion from Aqueous Solution Using As-synthesized CuO/Cu2O Nanocomposites

صفحه 171 - 180   دوره 11    شماره 1
Abed, Slawin Ali Alsultany, Forat H Dehno Khalaji, Aliakbar Jarosova, Marketa Machek, Pavel Solanki, Reena Hussein, Shaymaa Abed

XRD, EPR and FT-IR Studies of Zinc Aluminium Lithium Borate (ZALB) Glases Doped with Cu2+ Ions

صفحه 455 - 460   دوره 10    شماره 4
Rupa Venateswara Rao, B. Venkata Rao, K. Ravi Kumar, S. Kanth, G.V.L. Cole, S. B, Tirumala Rao Rajyalakshmi, Ch. RamaSwamy, G.

Study on the Molecular Interaction of Anthocyanin-rich Eggplant Extracts with Bovine α-Lactalbumin

صفحه 485 - 494   دوره 10    شماره 4
Mohseni-Shahri, Fatemeh S. Moeinpour, Farid

Spherical α Fe2O3 Nanoparticles: Synthesis and Characterization and Its Photocatalytic Degradation of Methyl Orange and Methylene Blue

صفحه 473 - 483   دوره 10    شماره 4
Dehno Khalaji, Aliakbar

Evaluation of the Thermal Properties of Ternary Mixtures of Fatty Acids for Green Thermal Energy Storage Application

صفحه 461 - 471   دوره 10    شماره 4
Vakili, Mohammad Hasan Fazaeli, Reza Khanmohammadi, Iman Vafajoo, Leila

Optimization and Modeling of Complete Removal of N-Compounds from Oil Cut Using Response Surface Methodology (RSM) by CuAlO2/ZSM-12&35 as a New Photocatalyst

صفحه 585 - 608   دوره 8    شماره 4
Fazaeli, Reza Saravani, Masood Giahi Ghiasi, Reza Rahmati, Masoomehalsadat

A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles

صفحه 629 - 644   دوره 8    شماره 4
Izadi, Mohammad Sabzyan, Hassan

Ultrafast Luminescence Decay in Rhenium(I) Complexes with Imidazo[4,5-f]-1,10-Phenanthroline Ligands: TDDFT Method

صفحه 609 - 627   دوره 8    شماره 4
Yazdanpanahfard, Zahra Oftadeh, Mohsen Fahkraee, Sara

Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field

صفحه 645 - 656   دوره 8    شماره 4
Nikparsa, Paria Nikparsa, Amirhosein Mirzaei, Ali

A DFT Study on Adsorption of Alanine on Pristine, Functionalized and Boron and/or Nitrogen Doped Functionalized C60 Fullerenes

صفحه 657 - 669   دوره 8    شماره 4
Dashti Khavidaki, Hossein Soleymani, Mousa

Experimental and Computational Investigations on the Molecular Structure, Vibrational Spectra, Electronic Properties, FMO and MEP Analyses of 4,6-Bis(4-Fluorophenyl)-5,6-dihydropyrimidin-2(1H)-one: A DFT Insight

صفحه 671 - 687   دوره 8    شماره 4
Pathade, Sandip Sakharam Jagdale, Bapu Sonu

Modification of PVC with 1-Vinylimidazole for CO2/CH4 Separation: Sorption, Permeation and DFT Studies

صفحه 689 - 703   دوره 8    شماره 4
Mehrdad, Abbas Noorani, Narmin

Spectroscopic and DFT Investigations on Some New Aryl (trichloroacetyl)carbamate Derivatives

صفحه 705 - 718   دوره 8    شماره 4
Shajari, Nahid Yahyaei, Hooriyeh

Computational Study of the Precursor Spectroelectrochemistry of Guanine

صفحه 719 - 735   دوره 8    شماره 4
Tabesh, Fatemeh Sabzyan, Hassan

Ejection Time of a Semi-Flexible Polymer from Strong Confinement inside a Nano-slit

صفحه 755 - 765   دوره 8    شماره 4
Hafizi, Fatemeh Hoseinpoor, S. Mohammad Nikoofard, Narges

Estimating the Acoustical Parameters and Molecular Interactions of n-Butylammonium perchlorate in Mixed Organic Solvents in the Temperature Range 298-328 K

صفحه 737 - 753   دوره 8    شماره 4
Sharma, Shrutila Vermani, Shashi Kiran Vermani, B. K. Pathania, Vivek Grover, Navya

Adsorption of Different Dyes from Aqueous Solutions Using Organo-clay Compposites

صفحه 767 - 787   دوره 8    شماره 4
Kamel Ismet, Benabadji Bouras, Brahim Baouch, Zakarya

Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers

صفحه 373 - 397   دوره 8    شماره 3
Mohammad-Aghaie, Delara Hamedi, Fatemeh

Viscosity-Temperature Stability, Chemical Characterization, and Fatty Acid Profiles of some Brands of Refined Vegetable Oil

صفحه 417 - 427   دوره 8    شماره 3
Adegboyega, Samuel Adewale Jaji, Abdulrafiu Olakunle Abdul-Hammed, Misbaudeen Abdulwahab, Ibrahim

Experimental and Theoretical Investigation of Corrosion Inhibitive Potentials of (E)-4-hydroxy-3-[(2,4,6-tribromophenyl)diazenyl]benzaldehyde on Mild Steel in Acidic Media

صفحه 399 - 416   دوره 8    شماره 3
Akinyele, Olawale Folorunsho Oyeneyin, Oluwatoba Emmanuel Aboluwoye, Christopher Olumuyiwa Amoko, Justinah Solayide Olayanju, Dare

Conductometric and Refractometric Studies of 1-Propyl-3-methylimidazolium Bromide Ionic Liquid in Water + Ethylene Carbonate Mixtures at T = (298.2, 308.2 and 318.2) K

صفحه 429 - 455   دوره 8    شماره 3
Ghalami-Choobar, Bahram Nosrati Fallahkar, Tayyebe

Prediction of DES’ Vapor Pressure Using a New Corresponding State Model

صفحه 471 - 496   دوره 8    شماره 3
Esmaelizadeh, Freidoon Zarei, Fariba Mousavi, Seyedeh Maryam Vakili-Nezhaad, G.Reza

Quantum Chemical and Molecular Docking Studies of Imidazole and Its Derivatives as the Active Antifungal Components against C. Albicans

صفحه 457 - 469   دوره 8    شماره 3
Yamni, Khalid Bouachrine, Mohammed Slassi, Siham Zaki, Hanane Amine, Amina

Liquid-Liquid Equilibrium Data of the Ternary Mixture of (Water + Phosphoric Acid + Heptyl Acetate) at 298.2 K and ≈ 102 kPa

صفحه 497 - 509   دوره 8    شماره 3
Shekarsaraee, Sina Ghanadzadeh Gilani, Ali Pir, Mahrokh

TD-DFT, NBO, AIM, RDG and Thermodynamic Studies of Interactions of 5-Fluorouracil Drug with Pristine and P-doped Al12N12 Nanocage

صفحه 511 - 527   دوره 8    شماره 3
Zanganeh, H. Rezaei Sameti, Mahdi

First-order Nonlinear Optical Response of C2Bn-2H n-1X (n = 14-17; X = H, Li, Na, K, F, Cl, Br) Carboranes: Insights from DFT and TD-DFT Calculations

صفحه 529 - 542   دوره 8    شماره 3
Yousefizadeh, Maryam Bamdad, Mehrdad Shakerzadeh, Ehsan

Functionalized Single-atom Thickness Boron Nitride Membrane for Separation of Arsenite Ion from Water: A Molecular Dynamics Simulation Study

صفحه 543 - 556   دوره 8    شماره 3
Vahid, Behrouz Azamat, Jafar Saadat Tabrizi, Nasser

Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters

صفحه 557 - 568   دوره 8    شماره 3
Salari, Hadi Gholami, Mohammad Reza

Kinetic, Isotherm and Mechanism Investigations of the Removal of Basic Violet 3 from Water by Raw Spent Coffee Grounds

صفحه 569 - 584   دوره 8    شماره 3
Ouchabi, Mbarka Jabri, Maria Aziz, Faissal Loulidi, Ilyasse Boukhlifi, Fatima Amar, Abdelouahed Kali, Abderahim

QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms

صفحه 215 - 223   دوره 8    شماره 2
Zhong-Yu, Wan

Nickel Hydrogenation Composite Catalysts Modified by Zirconium in Competitive Benzene Hydrogenation: Effect of Modifiers

صفحه 203 - 213   دوره 8    شماره 2
Peyrovi, Mohammad Hassan Abdali Hajiabadi, Mahdi Parsafard, Nastaran

Adsorption and Removal Characterization of Nitrobenzene by Graphene Oxide Coated by Polythiophene Nanoparticles

صفحه 225 - 240   دوره 8    شماره 2
Mousavi, Seyyed Mojtaba Babapoor, Aziz Hashemi, Seyyed Alireza Medi, Bijan

Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency

صفحه 241 - 250   دوره 8    شماره 2
Aliahmadi, Atousa Fakhari-Zavareh, Alireza Ghassempour, Alireza Darvishi-Ganji, Khorshid Mirzajani, Fateme

Estimation of Solubility of BTEX, Light Hydrocarbons and Sour Gases in Triethylene Glycol Using the SAFT Equation of State

صفحه 251 - 266   دوره 8    شماره 2
Tazang, Najmeh Alavi, Farzad Javanmardi, Jafar

Separation of Acetic Acid from Water Using Organic Solvents: Liquid-Liquid Equilibrium Thermodynamic Investigation

صفحه 267 - 280   دوره 8    شماره 2
Rezaei, Raziye Mohadesi, Majid

A Novel Poly(vinyl alcohol) Post-precipitation Template Synthesis and Property Tuning of Photoactive Mesoporous Nano-TiO2

صفحه 281 - 295   دوره 8    شماره 2
Hamisu, Abubakar Gaya, Umar Abdullah, Abdul Halim

Inhibition of Cyclooxygenase-2 and Thymidylate Synthase by Dietary Sphingomyelins: Insights from DFT and Molecular Docking Studies

صفحه 297 - 311   دوره 8    شماره 2
Abdul-Hammed, Misbaudeen Semire, Banjo Ayodele Olowolafe, Temitayo Adewale Adegboyega, Samuel Kolawole Oyebamiji, Abel

Investigation of Physicochemical Properties of Aggregated Models of [MIM+]2[C(CN)3-]2 Ionic Liquid: A Theoretical Study

صفحه 343 - 354   دوره 8    شماره 2
Makiabadi, Batoul Zakarianezhad, Mohammad

Response Surface Methodology (RSM) for Statistical Optimization of Cd2+ Removal Using Modified Zn2Al-layer Double Hydroxide by Quinoline Yellow

صفحه 313 - 341   دوره 8    شماره 2
Ghaedi, Mehrorang Janighorban, Mohtaram Sohrabi, Nasrin - Rasouli, Nahid

New Generalization of Cohesion Factor Model for Polar Compounds: Peng-Robinson Equation of State

صفحه 355 - 364   دوره 8    شماره 2
Shah, Nimish Joshipura, Milind Dabke, Sudir

Estimation of Viscosities and Their Deviations in Organic Liquid Mixtures at 303.15 K-A Comparative Study

صفحه 365 - 372   دوره 8    شماره 2
Sarma Nori, Timmeswara Srinivasu, Ch Baba Vali, Sk Srinivasa Sastry, P

Biosynthesis of Silver Nanoparticles Using Leaves of Acacia Melanoxylon and their Application as Dopamine and Hydrogen Peroxide Sensors

صفحه 1 - 18   دوره 8    شماره 1
BE, Kumaraswamy Rajendrachari, Shashanka

Preparation of Phosphorus Doped Graphitic Carbon Nitride Using a Simple Method and Its Application for Removing Methylene Blue

صفحه 31 - 44   دوره 8    شماره 1
Chegeni, Mahdieh Dehghan, Nasim

Effect of Medium on the Kinetics of Stereoselective Synthesis of a Highly Functionalized Cyclopropanesame

صفحه 19 - 30   دوره 8    شماره 1
Habibi-khorassani, Sayeydmosatfa Mahmoudi, Fatemeh Shahraki, Mehdi

Optimization of Biodegradation of Long Chain n-Alkanes by Rhodococcus sp. Moj-3449 Using Response Surface Methodology

صفحه 45 - 59   دوره 8    شماره 1
Binazadeh, Mojtaba Li, Zhi Karimi, Iftekhar A.

Molecular Docking-based Virtual Screening, Molecular Dynamics and Atoms in Molecules (AIM) Studies to Identify Potential Inhibitor against the Extracellular Region of Human Epidermal Receptor 2

صفحه 61 - 90   دوره 8    شماره 1
Moghadam, Homa Ghalami-Choobar, Bahram Shafaghat, Mojgan

Pharmaceutical Nickel(II) Chelation Properties of 3-Hydroxyflaven, Deferiprone and Maltol Metal Chelators: A Density Functional Study

صفحه 91 - 110   دوره 8    شماره 1
Mashmoul Moghadam, Seyed Mojtaba Shokooh Saljooghi, Amir Salehi, Samie Tarin, Mojtaba

Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate

صفحه 111 - 124   دوره 8    شماره 1
Zaroual, Zaina Bonnaillie, Patrick Azzi, Mohamed Ait Himi, Mohammed El Ghachtouli, Sanae Amarray, Amina

QSAR Study of New Compounds Based on 1,2,4-Triazole as Potential Anticancer Agents

صفحه 125 - 137   دوره 8    شماره 1
Belhassan, Assia Aouidate, Adnane Ghaleb, Adib Elmchichi, Larbi Lakhlifi, Tahar BOUACHRINE, Mohammed

A New Simple Model to Calculate the Heat Capacity of Pure Ionic Liquids

صفحه 139 - 154   دوره 8    شماره 1
Azadfar, Roohollah Hashemi-Moghaddam, Hamid Shaabanzadeh, Masoud Mohammadi Nafchi, Abdorreza

Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin

صفحه 155 - 165   دوره 8    شماره 1
Azayez, Mansour Meddah-Araibi, Noureddine Bouhadda, Youcef Fergoug, Teffaha Zelmat, Cherifa

Computational Study of Debye Temperature for Liquid Mixtures-Thermal Energy Variations

صفحه 167 - 173   دوره 8    شماره 1
Fakruddin Babavali, Sk Nori, Timmeswara Sarma Srinivasu, Ch

Synthesis of CuO/MCM-41 Photocatalyst Nanocomposite, Mechanistic Study and Optimization of Quinoline Oxidative Degradation without Auxiliary Oxidant Using Response Surface Methodology

صفحه 175 - 202   دوره 8    شماره 1
Fazaeli, Reza Arjmand, Mehdi Kamani, Mina Ghorbani, Mohammad Hossein

Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species

صفحه 715 - 729   دوره 7    شماره 4
Eshghi, Fazlolah Salarhaji, Maryam Pakiari, Ali Haidar

Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin

صفحه 751 - 764   دوره 7    شماره 4
Mohammad-Aghaie, Delara Behrouz, Somayeh Alavianmehr, Mohamad Mehdi Soltani Rad, Navid Yousefi, Reza Parvizi, Negar

Adsorption of Anionic Dyes on Poly(N-vinylpyrrolidone) Modified Bentonite

صفحه 731 - 749   دوره 7    شماره 4
Heddi, Djawhar Benkhaled, Amal Boussaid, Abdelhak Choukchou-Braham, Esma

Chemical Capture of CO2 by Glycine Salt Solution

صفحه 765 - 774   دوره 7    شماره 4
Naderi, Shabnam Ahmadzadeh, Hossein Goharshadi, Elaheh K.

Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study

صفحه 785 - 797   دوره 7    شماره 4
Khavani, Mohammad Izadyar, Mohammad

Effect of Synthesis Temperature on the Electrochemical Properties of Yttrium Aluminum Garnet

صفحه 775 - 783   دوره 7    شماره 4
Rahmandoust, Moones Shabani Shayeh, Javad Mohammad Shiri, Hamid Mansouri, Vahid Rezaei-Tavirani, Mostafa

Antimicrobial Investigation of CuO and ZnO Nanoparticles Prepared by a Rapid Combustion Method

صفحه 799 - 812   دوره 7    شماره 4
Kamacı, Yasemin Uzun, Orhan Karaoğlanlı, Abdullah Cahit Rajendrachari, Shashanka Taş, Recep Ceylan, Yusuf Bülbül, Ali Savaş

A Sensitive Novel Approach towards the Detection of 8-Hydroxyquinoline at Anionic Surfactant Modified Carbon Nanotube Based Biosensor: A Voltammetric Study

صفحه 813 - 822   دوره 7    شماره 4
P.A., Pushpanjali Manjunatha, J.G.

Non-cross-linked Amphiphilic Copolymer Coated Palladium Nanoparticles: A Highly Efficient and Reusable Catalyst for Aerobic Oxidation of Alcohols

صفحه 823 - 835   دوره 7    شماره 4
Ghorbanloo, Massomeh Hosseini Monfared, Hassan Mokary Yazdely, Tahereh

Inhibition of Carbon Steel Corrosion in Perchloric Acid Solution by Povidone Iodine

صفحه 837 - 848   دوره 7    شماره 4
Choukchou-Braham, Esma Benchadli, Abbes Attar, Tarik

Nano Particle CORONA Formation; Rather than Proteins

صفحه 849 - 857   دوره 7    شماره 4
Mirzajani, Fateme Pooya, Mahtab

Density, Viscosity, Refractive Index and Excess Properties of Binary and Ternary Solutions of Poly (Ethylene Glycol), Sulfate Salts and Water at 298.15 K

صفحه 859 - 884   دوره 7    شماره 4
Parmoon, Golamhossein Mohammadi Nafchi, Abdorreza Pirdashti, Mohsen

An Efficient Utilization of Waste Date Pit Oil for Ethyl Ester Production

صفحه 491 - 498   دوره 7    شماره 3
Pirkarami, Azam Fereidooni, Leila

Removal of Calcium (Ca2+) Ion from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC)-Application for Softening the Groundwater Samples

صفحه 449 - 466   دوره 7    شماره 3
Vaddi, Dhilleswararao Subbarao, Mushini Venkata Muralikrishna, M.P.S

Adsorption Behaviour of Reactive Black Dye 5 by Magnetically Separable Nano-adsorbent

صفحه 475 - 490   دوره 7    شماره 3
Farahani, Bahare K.A. Rostamian, Raheleh Hamzehloo, Majid

An Improved ISM Equation of State for Polar Fluids

صفحه 467 - 474   دوره 7    شماره 3
Mousazadeh, Mohammad Hassan

Determination of the Product Selectivity Model from the Fischer Tropsch Synthesis in a Fixed Bed Reactor

صفحه 499 - 510   دوره 7    شماره 3
Ghiasi, Yasha Atashi, Hossein Zamaniyan, Akbar Nakhaei Pour, Ali

Electrochemical Sensor for the Determination of Alizarin Red-S at Non-ionic Surfactant Modified Carbon Nanotube Paste Electrode

صفحه 523 - 533   دوره 7    شماره 3
Balliamada Monnappa, Amrutha. Bhatt, Aarti Sripathi Manjunatha, Jamballi Gangadarappa Chenthattil, Raril. Pemmatte Ananda, Pushpanjali.

Novel N-heterocyclic Stannylenes (NHSns) Using DFT

صفحه 511 - 521   دوره 7    شماره 3
Mohebi, Nazanin Cummings, Peter Dong, Kun Zamanzadeh, Amir Hosein Kassaee, Mohammad Zaman

Catalytic Investigation of Aluminum Effects on Benzene Hydrogenation Selectivity over Nickel Supported HMS/HZSM-5 Composites

صفحه 535 - 545   دوره 7    شماره 3
Abdali Hajiabadi, Mehdi Parsafard, Nastaran Peyrovi, Mohammad Hassan

Adsorption Study of Reactive Violet 8 and Congo Red Dyes onto Aloe Vera Micropowder Impregnated with Cu Atoms as a Natural Modified Sorbent and Related Kinetics and Thermodynamics

صفحه 547 - 560   دوره 7    شماره 3
Aghaie, Hossein Mahmoodi, Zahra Fazaeli, Reza

Tacrine-Flavonoid Quercetin Hybride as a MTDL Ligand against Alzheimer’s Disease with Metal Chelating and AChE, BChE, AChE-induced Aβ Aggregation Inhibition Properties: A Computational Study

صفحه 561 - 579   دوره 7    شماره 3
Eslami, Mahboobeh Amani, Parisa Habibpour Gharacheh, Razieh Bagheri Novir, Samaneh

Catalytic Aerobic Oxidation of Alkenes by Ag@Metal Organic Framework with High Catalytic Activity and Selectivity

صفحه 701 - 713   دوره 7    شماره 3
Salari, Hadi

Spectroscopic, Docking and Molecular Dynamics Simulation Studies on the Interaction of Etofylline and Human Serum Albumin

صفحه 681 - 699   دوره 7    شماره 3
Mohammad-Aghaie, Delara Hamedi, Fatemeh Soltani Rad, Navid

Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study

صفحه 235 - 243   دوره 7    شماره 2
Ghambarian, Mehdi Ghashghaee, Mohammad Azizi, Zahra Balar, Mahboobeh

Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril

صفحه 245 - 259   دوره 7    شماره 2
Naderi, Samaneh Bahrami, Hamed Vahedpour, Morteza Sabzehzari, Mozhgan

Theoretical Calculations of Refractive Index of Synthesized One and Two Substituted Derivatives of Functionalized Bithiophene Compounds

صفحه 261 - 270   دوره 7    شماره 2
Oftadeh, Mohsen Jamalian, Behnaz

Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures

صفحه 271 - 293   دوره 7    شماره 2
Mohammad-Aghaie, Delara Zargari, Farshid Sookhaki, Elham

Proficiency of Graphene Oxide in Adsorption of Zn(II) Ions from Aqueous Solution

صفحه 295 - 307   دوره 7    شماره 2
Udoka, Nkwoada Amarachi Enenebeaku, Conrad

TiO2@CoFe2O4 Nanofiber for the Photocatalytic Degradation of Direct Red 80

صفحه 309 - 325   دوره 7    شماره 2
Yasini Ardakani, Soheil Abghari, Ramin Mirjalili, Mohammad

Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study

صفحه 327 - 346   دوره 7    شماره 2
Ghanadzadeh Gilani, Ali Ghanadzadeh, Hossein Azmoon, Parisa Chaibakhsh, Naz

Study of Excess Properties of Binary and Ternary Mixtures of Trichloroethene, Ethanoic Acid, and N,N-Dimethylformamide at Different Temperatures

صفحه 347 - 363   دوره 7    شماره 2
Zarei, Hosseinali Omidi, Mahsa Behroozi, Mahboobe

Experimental and Modeling of Densities and Viscosities of Binary Mixtures Containing MTBE/Alkan-2-ol

صفحه 365 - 374   دوره 7    شماره 2
Almasi, Mohammad

Tautomerism, Intramolecular H-bonding, Acidity and Complexation of 2,4-Dioxo-4-Phenylbutanoic Acid

صفحه 375 - 394   دوره 7    شماره 2
Khalilinia, Ebrahim Ebrahimi, Ali

Fe Lauded TiO2 Nanoparticles Synthesized by Sol-gel Precursors

صفحه 395 - 401   دوره 7    شماره 2
Behrouzinia, Saeid Farahmandjou, Majid

Measurements and Prediction of Melting Temperature and Eutectic Point of Binary Fatty Acids Based on Wilson Activity Model

صفحه 403 - 414   دوره 7    شماره 2
Noie, SeyedHossein Mirpoorian, Seyyed Mohammadreza Roohi, Pejman Vakili, Mohammad Hasan

The Physical Properties of Biodiesel-Diesel Fuel Produced via Transesterification Process from Different Oil Sources

صفحه 415 - 424   دوره 7    شماره 2
Yeganeh, Golan Mousavi, Seyyed Mojtaba Hashemi, Seyyed Alireza Foroutan, Rauf Esmaeili, Hossein

Measurement and Correlation of LLE Data for the Ternary System Water + Phosphoric Acid + 1-Undecanol at 303.2 K

صفحه 425 - 434   دوره 7    شماره 2
Parvandi, Yasaman Kolachahi Sabet, Benyamin Moradi, Farhad Kazemi, Morteza Shekarsaraee, Sina

Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study

صفحه 435 - 447   دوره 7    شماره 2
Ghambarian, Mehdi Azizi, Zahra Balar, Mahboobeh Ghashghaee, Mohammad

Effect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation

صفحه 299 - 304   دوره 3    شماره 4
Rajabpour, Ali Tavazoee, Fatemeh Kimiagar, Salimeh

Influence of Different Percentages of Copper on the Size and Optical Properties of Ag-Cu Nanoparticles Formed by Wet-Chemical Method

صفحه 331 - 339   دوره 3    شماره 4
Mashayekhishams, Parivash Banaei, Alireza

Experimental and Theoretical Study of Cis-1,4-polyisoprene Pyrolysis

صفحه 115 - 127   دوره 13    شماره 1
Izadi, Mohammad Ebrahim Ajloo, Davood Raeisian, Maysam

Antidepressant-like Activities of Boldine Analogues Combined with in Silico Computational Studies

صفحه 103 - 114   دوره 13    شماره 1
Xiaopeng, Wei Qianqian, Chang Wei, Qiao Fenghe, Bi Hao, Xu Yuheng, Sun

Multiphased Carbonaceous Periwinkle Shell and Styrofoam Nanocomposites For Toxic Contaminants Treatment

صفحه 129 - 138   دوره 13    شماره 1
Nkwoada, Amarachi Udoka Kalu, Samuel A Anukam, Basil N Iwu, Irenus C Nweze, Chike A

Revealing Intermolecular Interactions and Electronic Properties in the Hydrogen-Bonded Complexes of Alcohols-Acetaldehyde at 308 K by Ultrasonic and DFT Studies

صفحه 139 - 150   دوره 13    شماره 1
C P, Devipriya V, SabAari M, Punithavathi J, Udayaseelan M, Aravinthraj

Carbon Nanotubes Effectiveness Incorporated in the Poly(Methyl Methacrylate) Matrix to Make a Nano Coating As a Selective Surfaces that Enhance Solar Energy Absorption

صفحه 151 - 164   دوره 13    شماره 1
Kareem, Ali Ridha M. Abed, Rasheed Nema

Exploring of Novel Thymol-based Amino-thiazole Hybrids: Computational Evaluation of Anticancer Activity

صفحه 165 - 181   دوره 13    شماره 1
Errougui, Abdelkbir Bouribab, Amal Rossafi, Bouchra Touti, Rodouan Chtita, Samir

DC High Resistance Measurement as a Simple Technique for In Situ Corrosion-monitoring of Epoxy/Glass Flake Coated Carbon Steel

صفحه 183 - 195   دوره 13    شماره 1
Zhiani, Mohammad Yani, Pegah Mohammadi Taghiabadi, Mohammad

Treatment and Degradation of Azo Dye Waste Industry by Electro-Fenton Process

صفحه 495 - 504   دوره 10    شماره 4
Wakrim, Asmaa El Ghachtouli, Sanae Jamal Eddine, Jamal Zaroual, Zaina Azzi, Mohammed

Activated Empty Palm Fruit Bunch for the Adsorption of Heavy Metal Ions: Kinetics and Thermodynamics

صفحه 505 - 518   دوره 10    شماره 4
Sambudi, Nonni Soraya Ndukwe, Charles Obineche Ekeoma, Bernard Chukwuemeka

In Silico Prediction of Novel (TRIM24) Bromodomain Inhibitors: A Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation

صفحه 519 - 535   دوره 10    شماره 4
Abbdellah, EL Aissouq Ouammou, Abdelkrim Oussama, Chedadi Youssef, El Ouardi Bouachrine, Mohammed

Effect of PVA/PEG-coated Fe3O4 Nanoparticles on the Structure, Morphology and Magnetic Properties

صفحه 537 - 547   دوره 10    شماره 4
Farahmandjou, Majid Khodadadi, Abolfazl Talebtash, Mohamad Rahim

Preparation of Schiff Bases Derived from Chitosan and Investigate their Photostability and Thermal Stability

صفحه 549 - 557   دوره 10    شماره 4
Saleh, Taiseer Abdul-kader Al‐Tikrity, Emaad T.B. Yousif, Emad Al-Mashhadani, Mohammed H. Jawad, Ali H.

Physicochemical Properties and Structural Analysis of Some Organic Solvent (OS)-Water Systems: A Quantum Mechanical Study

صفحه 559 - 570   دوره 10    شماره 4
Ali, Ibrahim Bezbaruah, Bipul Bezbaruah, Mrinal Jyoti Barukial, Pratyashee Ahmed, Benzir

Calculation of Structural Parameters and Diffusion Coefficient of Sodium Dodecyl Sulfate at Concentrations Lower and Higher Than the Critical Micelle Concentration in the Presence of Amyloid-Beta Peptide

صفحه 571 - 579   دوره 10    شماره 4
Saghiri, Afsane Bozorgmehr, Mohammad Reza Morsali, Ali

An In Vivo Synergistic Research on the Assessment of the Phytocompound Capped Silver Nanoparticles from Raphanus sativus Leaf Extract and Curcuma longa Against UTI-Causing E.coli.

صفحه 581 - 588   دوره 10    شماره 4
S, Selvaraj S, Malathi K, Jagathy A, Ram Kumar

Codeposition of Fe3O4 Nanoparticles Sandwiched Between g-C3N4 and TiO2 Nanosheets: Structure, Characterization and High Photocatalytic Activity for Efficiently Degradation of Dye Pollutants

صفحه 65 - 80   دوره 7    شماره 1
Abbasi, Zahra Garcı´a-Lo´pez, E.I. Farrokhnia, Abdolhadi Zargar Shoushtari, M.

Products of the Self-Reaction of HCO Radicals: Theoretical Kinetics Studies

صفحه 81 - 94   دوره 7    شماره 1
Saheb, Vahid Nazari, Afsaneh

A Molecular-Based Equation of State for Vapour-liquid Equilibrium of Pure Substances

صفحه 95 - 109   دوره 7    شماره 1
Mousazadeh, Mohammad Hassan

Minimum Miscibility Pressure Using the Multiple Mixing-cell Combined with the PC-SAFT Equation of State

صفحه 111 - 130   دوره 7    شماره 1
Esmaeilzadeh, Fereidun Khayyat, Yasin Rasoolzadeh, Ali

Response Surface Methodology for Optimizing Adsorption Process Parameters of Amaranth Removal Using Magnetic Layer Double Hydroxide (Fe3O4/ZnFe-LDH)

صفحه 131 - 148   دوره 7    شماره 1
Rasouli, Nahid Alirezaarab, Farzaneh Sohrabi, Nasrin

Thermodynamic Study of L-alanine in Aqueous Solutions of 1-Hexyl-3-Methylimidazolium Ibuprofenate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL)

صفحه 149 - 166   دوره 7    شماره 1
Zafarani-Moattar, Mohammed Shekaari, Hemayat Mirheydari, Seyyedeh Narjes

An Empirical Correlation for Estimation of the Thermal Conductivity of Saturated Liquid Refrigerants

صفحه 167 - 180   دوره 7    شماره 1
Vakili, Mohammad Hasan Mehmadi-Kartalaie, Alireza Mohammadi Nafchi, Abdorreza Hashemi-Moghaddam, Hamid

The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach

صفحه 265 - 277   دوره 3    شماره 4
Rezaei Sameti, Mahdi

Fabrication and Characterization of Rutile TiO2 Nanocrystals by Water Soluble Precursor

صفحه 293 - 298   دوره 3    شماره 4
Farahmandjou, Majid

Determination and Modeling of Activity Coefficients of Sodium Chloride in (Glycerol + Water) Mixtures Based on Potentiometric Measurements

صفحه 305 - 318   دوره 3    شماره 4
Hosseini, Maryam Ghalami-Choobar, Bahram Zanjanchi, Mohammad Ali

How to Change the Redox Potential of Guanine?

صفحه 341 - 346   دوره 3    شماره 4
Dehghanpisheh, Elham Pakiari, Ali Haidar Haghighi, Behzad

Kinetic Study and Modelling of n-Heptane Reforming Process over Pt/Zr-HMS/HZSM-5 Composite Catalysts

صفحه 1 - 9   دوره 7    شماره 1
Sajedi, Amir Peyrovi, Mohammad Hassan Parsafard, Nastaran

Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies

صفحه 11 - 26   دوره 7    شماره 1
Vaddi, Dhilleswararao Subbarao, Mushini Venkata Muralikrishna, M.P.S.

Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity

صفحه 27 - 36   دوره 7    شماره 1
Shankar Kumar. Ch, Ravi S, Deepthi Jha, Anjali

Efficient Removal of Diclofenac from Pharmaceutical Wastewater Using Impregnated Zeolite Catalyst in Heterogeneous Fenton Process

صفحه 37 - 52   دوره 7    شماره 1
Jalali, Hadi Rostamizadeh, Mohammad Naeimzadeh, Farnaz Gharibian, Soorena

Efficient Rapid Deodorization of Mercaptan-Contaminated Soil by Sono-Fenton Process: Response Surface Modeling and Optimization

صفحه 53 - 64   دوره 7    شماره 1
Rouhi, Parham

PVT Properties of Pure Lubricants Using Equations of State and Artificial Intelligence

صفحه 181 - 200   دوره 7    شماره 1
Zolfaghari, Hamideh Yousefi, Fakhri

Separation of Formic Acid from Aqueous Solutions by Liquid Extraction Technique at Different Temperatures

صفحه 201 - 215   دوره 7    شماره 1
Behroozi, Mahboobe Shardi Manaheji, Mahtab Vahedpour, Morteza

Electrical Conductivity Studies of 1-Butyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Amino Acids Solutions

صفحه 217 - 234   دوره 7    شماره 1
Shekaari, Hemayat Mirheydari, Seyyedeh Narjes Zafarani-Moattar, Mohammed Taghi

Thermodynamic Properties of Sulfasalazine in Binary Aqueous Mixtures of Polyethylene Glycol 600 and 1,2-Propanediol: Computational Modeling and Solubilization

صفحه 851 - 857   دوره 12    شماره 4
Rahimpour, Elaheh Fathi Azarbayjani, Anahita Hamzehlou, Sama Jouyban, Abolghasem

Biosorbent Characterization and Mechanism Development for Cationic and Anionic Textile Dyes Derived from Seaweed (Sargassum wightii) Carbonated Ash

صفحه 869 - 879   دوره 12    شماره 4
Dilipan, Elangovan Afeeza, KLG

Exploring Phenoxazinone Synthase Activities: Experimental and Theoretical Analyses of Symmetrical Azine Ligands

صفحه 859 - 868   دوره 12    شماره 4
Meziane, Hanae Abbaoui, Zakariae Chetioui, Souheyla Touzani, Rachid Belkhir, Hammouti Bouachrine, Mohammed Ouabane, Mohamed Djedouani, Amel El Kodadi, Mohamed Bougueria, Hassiba

Molecular Design and Optoelectronic Investigations of Phenothiazine D-A-π-A Dye-Sensitizers Using DFT/TD-DFT Method for Potential Solar Cell Application

صفحه 901 - 918   دوره 12    شماره 4
Salawu, Olalekan Wasiu Semire, Banjo Anthony, William Ojoniko Obiyenwa, Gabriel Abubakar, Muhammed Kabir

Explanation of the Quinoxaline Analog's Adsorption and Inhibition Mechanism for Carbon Steel Corrosion in 1 M HCl Based on Experiments and Theoretical Calculations

صفحه 881 - 899   دوره 12    شماره 4
Adlani, L. Abad, N. Warad, I. Benhiba, F. Allali, M. Zarrouk, Abdelkader Chahir, L. El Faydy*, M. Benmessaoud Left, D. Zertoubi, M. Dikici, B. Kaichouh, G. Ramli, Y.

Interaction of the Hydrochloroquine Drug with B24N24 Nanocage Doped by B, Al, and Si Elements: A Quantum Mechanical Simulation

صفحه 935 - 947   دوره 12    شماره 4
Javanshir, Zahra Shekasteband, V. Razavi Mehr, M. Fekri, M.H.

Methylene Blue Adsorption on Modified Biochar with Magnetic Nanoparticles and Humic Acid Coating

صفحه 949 - 962   دوره 12    شماره 4
Ghasemian Lemraski, Ensieh Tahmasebi, Zohreh Sabrpisheh, Zahra Abbasi, Zahra

Study of some Thermodynamic Properties of Vitamin B3 in Aqueous Deep Eutectic Solvent Solutions at T = (288.15 to 318.15) K

صفحه 919 - 934   دوره 12    شماره 4
Hassanpour Bourkhili, Sahar Nourizadeh, Fatemeh Afkari, Ramin Mokhtarpour, Masumeh Shekaari, Hemayat Fakhraei, Mina Faraji, Saeid

Computational Investigation of Potent EGFR Inhibitors from Flavonoid-Based Phytochemical Constituents of Caralluma Europaea as Pancreatic Cancer Agents

صفحه 963 - 974   دوره 12    شماره 4
Alaqarbeh, Marwa Rehman, Hafiz Muzzammel Ajana, Mohammed Aziz Bouachrine, Mohammed El Khatabi, Khalil Lakhlifi, Tahar

Evaluation of Designed Peptide Inhibitors in Destabilization of Aβ42 Protofibrils: A Molecular Dynamics Study

صفحه 991 - 1004   دوره 12    شماره 4
Jalili, Seifollah Zaruati, Elham

Molecular Structure, Lattice Energy, Hirshfeld Surface and NCI-RDG Analysis, DFT Calculations, and In Silico Molecular Docking of an Imidazole Derivative

صفحه 975 - 990   دوره 12    شماره 4
Salem, Yahyaoui Zohra Douaa, Benyahlou Benaissi, Hafida Megrouss, Youcef Mansour, Azayez Sid Ahmed, Kaas Drissi, Mokhtaria Abdelkader, Chouaih

Appraisal of Isosteric Heat of Lennard-Jones with Tunable Softness & Mie (14,7) Fluids via Simulation Method

صفحه 1005 - 1017   دوره 12    شماره 4
Passandideh-Fard, Mohammad Sokhanvaran, Vahid Haghighi, Behzad Haghighi, Behrouz Haghighi, Behrad Shadman, Muhammad

Computational Investigation of the Stability and Efficiency of Indenoindene-based A-π-D-π-A Type Compounds in Organic Photovoltaics Cells

صفحه 1019 - 1035   دوره 12    شماره 4
Etabti, Hanane Fitri, Asmae Kacimi, Rchid Benzakour, Mohammed Ali, Usman Benjelloun, Adil Touimi Mcharfi, Mohammed

Synthesis and Characterization of Porous SiO2/C Composite from Rice Husks through Activation with Sodium Hydroxide and its Application in Pouch Cell Li-Ion Batteries

صفحه 1037 - 1047   دوره 12    شماره 4
Vo, Tran Bich Tram Vu, Tan Phat Tran, Van Man Pham, Thanh Liem Nguyen, Thien Trung Le, My Loan Phung

Investigation of Surface Water Treatment via Integration of Internal Loop Airlift System and Electrocoagulation-flotation with CaCl2 and NaCl as Electrolytes

صفحه 1065 - 1077   دوره 12    شماره 4
Eddaqaq, Fatna El Kouali, Mhammed Lekhlif, Brahim Dani, Adil Errougui, Abdelkbir Chtita, Samir

Solubility Properties of Glycine in Aqueous NH4Cl and (NH4)2SO4 Solutions from T = 288.15 K to 308.15 K

صفحه 1049 - 1064   دوره 12    شماره 4
Saha, Avishek Abualreish, Abdelmageed. Mahali, Kalachand Roy, Sanjay Chakrabortya, Jit Kundu, Simanta Ganai, Sintu Mukherjee, Puspal

The Interaction of Sulfamethoxazole Drug with the Pristine and Functionalized C60 Fullerenes: A DFT Study

صفحه 1079 - 1090   دوره 12    شماره 4
Dashti Khavidaki, Hossein Yarahmadi, Hadis Soleymani, Mousa

Fabrication and Characterization of Nanoporous Ag/ZnO/SBA-16: Its Applications as Drug Delivery Systems

صفحه 1111 - 1131   دوره 12    شماره 4
Razavimehr, Maryam Soleymani, Samaneh Fekri, Mohammad Hossein Saki, Fatemeh

Optical Systematic and Morphological Characterization of PMMA Thin Films Containing Copper(II) and Zinc(II) Chloride Additives for Selective Surfaces

صفحه 1091 - 1110   دوره 12    شماره 4
Yousif, Emad Zainulabdeen, Khalid Abed, Rasheed

Treatment of Wastewater Containing Co(II) Ions Using Eggshell Nanoparticles: Kinetic and Equilibrium Investigations

صفحه 1133 - 1145   دوره 12    شماره 4
Tabidi, Mohammed Elshafie, Hashim Jyothi, S. Renuka Altimari, Usama S. Quispe-Rodriguez, Indalecio Khaleel, Abdulrahman Qais Pallathadka, Harikumar Kadhum, Wesam R. Jabbar, Abeer Mhussan Rodriguez-Benites, Carlos

Construction of ZnS/montmorillonite/graphitic Carbon Nitride as Adsorbent and Photocatalyst for the Removal of Rhodamine B

صفحه 273 - 287   دوره 12    شماره 2
Chegeni, Mahdieh Nasrollahi, Fereshteh

Valorization of Rice Bran Fatty Acid Distillate: A Green Approach to Ethanol-Based Biodiesel Production Using Eversa® Transform as a Recyclable Catalyst

صفحه 263 - 272   دوره 12    شماره 2
Parmar, Ronak Mali, Suraj N. Pratap, Amit

In Silico Studies on the Molecular Geometry, FMO, Mulliken Charges, MESP, ADME and Molecular Docking Prediction of Pyrogallol Carboxaldehydes as Potential Anti-tumour Agents

صفحه 305 - 320   دوره 12    شماره 2
A, Ram Kumar Selvaraj, Sankar

Discovery of Eugenol-derived Drug Candidates for the Treatment of COVID-19 by Applying Molecular Docking, Molecular Dynamics, and Pharmacokinetic Analysis

صفحه 289 - 303   دوره 12    شماره 2
Mounadi, Nouh ElKouali, Mhammed Chtita, Samir Nour, Hassan Errougui, Abdelkbir Talbi, Mohammed

The Effect of Alyssum Floribundum Boiss. & Balansa (Brassicaceae) Leaves Extract on the Corrosion of Mild Steel in an Acidic Medium

صفحه 321 - 332   دوره 12    شماره 2
AVCI, Gülşen Binzet, Riza

Computational Investigation of Polo-like Kinase 1 (plk1): Inhibitive Potential of Benzimidazole-Carbonamide Derivatives for Cancer Treatment

صفحه 333 - 348   دوره 12    شماره 2
ESAN, TIMOTHY OLUWASEUN Emmanuel, Abiodun Vestor Bello, Kabir Abidemi Omiyeniyi, Gbenga David Ipinloju, Nureni Balogun, Toheeb Adewale Oyeneyin, Oluwatoba Emmanuel Ibrahim, Abdulwasiu Adeyemo, Moses Akintunde

Investigating the Influence of Alkali over Morphology, Functional Groups, and Physical and Mechanical Properties of Fiber obtained from Cordia Dichotoma (Gum Berry)

صفحه 349 - 359   دوره 12    شماره 2
Hassan, Gul Bhatti, Inamullah Shaikh, Muhammad Shuaib

Industrial By-Products as Potentially Economic and Promising Adsorbents for Removing Dyes from Effluents: A Review Study

صفحه 361 - 382   دوره 12    شماره 2
Tamjidi, Sajad Kamyab Moghadas, Bahareh Abdollahi, Pegah Parnian, Nazli Farhadi, Arezoo

Synthesis of Zinc Oxide Nanoparticles by Citrus Limon as an Effective Photoanode for Dye-Sensitized Solar Cells

صفحه 383 - 392   دوره 12    شماره 2
Muthu, R. Naresh

Mechano-Optical Study of the Deformation of Polymer Films

صفحه 393 - 406   دوره 12    شماره 2
Matyakubov, Bekzod Burkhanova, Nilufar Karabayeva, Munira Eslamasov, Mirzalol

Structural, Optical, and Magnetic Studies of Palladium (Pd) Doped Cerium Oxide (CeO2) Nano Particles

صفحه 407 - 417   دوره 12    شماره 2
I, Baskaran Selvaraj, Sankar GP, SHEEJA MOL C, Kumaran Rajkumar, P

Synthesis of Reduced Graphene Oxide/Hexagonal Boron Nitride Nanocomposite as Efficient Hydrogen-Storage Medium for Fuel Cell Applications

صفحه 419 - 428   دوره 12    شماره 2
Muthu, R. Naresh

Zero-Valent Iron Nanoparticles (NZVI) Supported by Zeolite Clinoptilolite-Supported for Removal of Cu(II) Ions by Adsorption: A Optimization Study by Response Surface Methodology (RSM)

صفحه 429 - 440   دوره 12    شماره 2
Gharbani, Parvin

Kinetics of Vinyl Radical with Chlorine Molecules, A Theoretical Study

صفحه 441 - 451   دوره 12    شماره 2
Mousavipour, S. Hosein Mehdizade, Maryam

Removal of Methylene Blue Dye from an Aqueous Solution by an Adsorption Technique Using Sulfonated Polystyrene as Three Low-cost Adsorbents

صفحه 453 - 465   دوره 12    شماره 2
Mohammed El Amine, Zennaki Brahim, Bouras Tennouga, Lahcene Belkaid, Soraya

Elimination of Turbidity from a Maghnite Suspension by Coagulation/Flocculation Using a Copolymer Modified from N-vinyl Imidazole

صفحه 467 - 481   دوره 12    شماره 2
Benouis, Chahinez Meghabar, Rachid Mohammed El Amine, Zennaki Hafida, Zzerigui Mohammed Issam, Ferrahi Brahim, Bouras

Liquid Membrane-based Extraction of Arsenic: Part 1 - Experimental Study and Mathematical Modelling

صفحه 483 - 504   دوره 12    شماره 2
Saha, Prabirkumar Sarkar, Soumi

Photoluminescence Studies on Eu3+ Activated Li4Zn(PO4)2 Phosphors

صفحه 505 - 513   دوره 12    شماره 2
Naveen, A Venkateswarlu, M Giridhar, Gurram Srinivas Prasad, MVVK Venkata Siva Krishna, Neelam Chandana, G Ramakrishna, Yajjala

Inhibiting Performance of Rivaroxaban Against Corrosion of Mild Steel in 1.0 M HCl Solution

صفحه 515 - 524   دوره 12    شماره 2
Ashassi-Sorkhabi, Habib Asghari, Elnaz Mehralizadeh, Mohammadreza

Liquid Membrane-based Extraction of Arsenic: Part 2-Optimization through Statistical and Machine Learning Approach

صفحه 525 - 547   دوره 12    شماره 2
Sarkar, Soumi Saha, Prabirkumar

Efficient Lead(II) Adsorption onto Mesoporous Silica Aerogels Synthesized via Green Method, Organic Solvents, and Modified Aging

صفحه 1 - 9   دوره 12    شماره 1
Khan, Waseem Akhter, Faheem Jamali, Abdul Rauf

Performance and Emissions Investigation of Biodiesel Made from Neem Oil

صفحه 11 - 19   دوره 12    شماره 1
Suresh, P. A, Ram Kumar Ahilan, T. Dhanesh Babu, S.D. S, Selvaraj

Biosynthesis and Optimization of AgNPs Yield from Chromolaena Odorata Leaf Extract Using Response Surface Methodology (RSM)

صفحه 21 - 31   دوره 12    شماره 1
Ogunsile, Oluwole B Ejidike, Ikechukwu P. Okoh, Olayinka S. Omolaja, Omodara R.

Nicotinamide Solubility in Ethanol + Acetonitrile at Different Temperatures

صفحه 33 - 45   دوره 12    شماره 1
Shayanfar, Ali Rahimpour, Elaheh Jouyban, Abolghasem Khajir, Sheida Martinez, Fleming

Spectral, Isotherm, Kinetic, and Thermodynamic Studies of Malachite Green Dye Adsorption from Aqueous Solutions onto Low-cost Treated Kaolin

صفحه 47 - 60   دوره 12    شماره 1
Belhocine, Youghourta Charime, Djalila Boultif, Walid Hattab, Zhour Moumen, Abdelhak Mechati, Fedai Karout, Malika

Removal of Acid Blue 113 Textile Dye from Synthetic Aqueous Solution by Adsorption and Flocculation Process Using Cationic Copolymer Poly(n-hexadecyl-4-vinylpyridinium Bromide)

صفحه 61 - 72   دوره 12    شماره 1
Belkaid, Soraya Mahroug, Hanane Mohammed El Amine, Zennaki Lahcene, Tennouga

Sustainable and Low-cost Hydroxyapatite/Starch for the Removal of Methylene Blue from Aqueous Solutions

صفحه 73 - 84   دوره 12    شماره 1
Mahroug, Hanane Belkaid, Soraya

Impact of Oil Viscosity on Carbon Stabilization Using Polyisobutylene Succinimide (PIBSI) Dispersant

صفحه 85 - 93   دوره 12    شماره 1
Abdullah, Muhammad Khalil Shafiq, Mohamad Danial Abdul Rahman, Amir Muhammad Noh Amin Yoong, Zhi Kei Ariffin, Azlan

817M40T Mild Steel Corrosion Remediation in 0.5 M Hydrochloric Acidic Environment Using Alkaloid and Flavonoid Extracts of Salvia Officinalis

صفحه 121 - 133   دوره 12    شماره 1
Ugi, Benedict Ushaka Bekong Ugi, Fredrick

Spectroscopic, Structural and Molecular Docking Studies on N,N-Dimethyl-2-[6-methyl-2-(4-methylphenyl) Imidazo[1,2-a]pyridin-3-yl] Acetamide

صفحه 95 - 107   دوره 12    شماره 1
Kanagathara, N. S, Selvaraj Ram Kumar, A.

Steam Regeneration of Exhausted Activated Carbon Used in Natural Gas Dehydration by a Triethylene Glycol Unit

صفحه 109 - 119   دوره 12    شماره 1
Allali, Abbas Brahimi, Djamila Bounadja, Youcef Sellami, Mohamed Hassen

Effects of Ethanol Fumigation on the Performance and Emissions of Diesel Engines

صفحه 135 - 144   دوره 12    شماره 1
T, Ahilan C, Selvamani S, Selvaraj Suja Mani Malard, R. Suresh, P. Ram Kumarc, A. Dhakshnamurthi, P.

The Effect of Nonlinear Thermal Radiation on EMHD Casson Nanofluid over a Stretchable Riga Plate with Temperature-Dependent Viscosity and Chemical Reaction

صفحه 157 - 173   دوره 12    شماره 1
EL GLILI, Issa Driouich, Mohamed

Metal-Containing Ionic Liquids: Anion and Cation Contribution on Thermo-Physical Parameters

صفحه 175 - 187   دوره 12    شماره 1
Ghasemin Lemraski, Ensieh

Coupling Interaction of Ampicillin Drug with Ninhydrin in Aqueous Acidic Medium: Kinetics and Mechanistic Studies

صفحه 145 - 156   دوره 12    شماره 1
Abdel-Hafeez, Mahmoud Mohamed Ibrahim, Taha Abdelgalil Abdel-Khalek, Ahmed Ahmed Mohamed, Reham Anwar Hassan, Eman Saber

Modified Biopolymer as Adsorbent for Methylene Blue Dye Removal

صفحه 189 - 204   دوره 12    شماره 1
Aabdelaali, Belaid Tayeb, Hocine Brahim, Bouras Benhabib, Karim Lahcene, Tennouga Kamel Ismet, Benabadji

Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment

صفحه 205 - 217   دوره 12    شماره 1
Al-Jeilawi, Oday H. R. Al-Ani, Huda N. Al-Zahra, Alaa Al-Sultani, Khitam T. A.

Highly Enhanced Pb(II) Removal By Mercaptopropyl Trimethoxysilane (MPTMS) Surface-Modified Silica Aerogel: Synthesis, Characterization and Isotherm Studies

صفحه 219 - 227   دوره 12    شماره 1
Ahsan, Muhammad Junaid Akhter, Faheem Anees-u-Rehman, Hafiz Ahmed, Jawad Arain, Haris Jawad

3D QSAR, Molecular Docking, and ADMET Studies of a Series of 2-Acetylphenol-Rivastigmine Hybrids against Monoamine Oxidase A Inhibitors

صفحه 249 - 262   دوره 12    شماره 1
El Aissouq, Abdellah Khalil, Fouad Naanaai, Lhoucine Zaitan, Hicham

Theoretical and Experimental Study of the Orientation to the Most Effective Coagulant for Removing Reactive Black-5 Dye from Industrial Effluents

صفحه 229 - 248   دوره 12    شماره 1
Elharfaoui, Slimane Salle, Brahim Tounsi, Abdessamad Chaair, Hassan El Idrissi, Mohamed Zmirli, Zakia Mouhssine, Ali Dani, Adil Digua, Khalid

In Silico Study of the Effect of Porphyrin-Based Ligands on the Structure of G-Quadruplex in the Presence of Different Ions

صفحه 695 - 705   دوره 11    شماره 4
Otovat, Fahimeh Morsali, Ali Bozorgmehr, Mohammad Reza Mahmoudi, Ali

Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking

صفحه 707 - 723   دوره 11    شماره 4
Soltani, Marzieh Sabzyan, Hassan Sardari, Soroush Ghasemi, Fahimeh

Volumetric Properties of Nanofluids by a Perturbed Hard-sphere Chain Equation of State

صفحه 735 - 745   دوره 11    شماره 4
Sharafi, Zahra Mozaffari, Farkhondeh

Synthesis of TiO2 Nanoparticles by Hydrothermal Method and Characterization of their Antibacterial Activity: Investigation of the Impact of Magnetism on the Photocatalytic Properties of the Nanoparticles

صفحه 771 - 782   دوره 11    شماره 4
Abdulrahman, Nadia A Hameed, Howraa Ghassan

Molecular Analysis of Potential Inhibitors Against SARS-CoV-2: Computational Approach

صفحه 725 - 734   دوره 11    شماره 4
Tolufashe, Gideon F. Sanusi, Zainab Omayone, Tosan P. Ibeji, Collins

Deactivation of Iron Fischer-Tropsch Catalyst in the Presence of Different Promoters: Model Determination and Parameter Estimation Using a Hybrid ANN/GPLE Technique

صفحه 761 - 770   دوره 11    شماره 4
Ghofran Pakdel, Maliheh Zohdi, Seyyed Hossein Mirzaei, Ali Akbar

Physical Study of PVA Filled with Carbon Nanotube and Nano Carbon with Roughness Morphology

صفحه 747 - 760   دوره 11    شماره 4
Ahmed, Ahmed A. Abed, Rasheed Nema Abdullah, Alaa M. Alwan, Liqaa H.

Structural Insight into 2-Aryl-4-Quinoline Carboxylic Acid-Based Dihydroorotate Dehydrogenase (DHODH) and its Potential Anti-SARS-CoV-2 Activity Through Pharmacophore Modeling, Multidimensional QSAR, ADME, and Docking Studies

صفحه 783 - 800   دوره 11    شماره 4
Thorat, Bapu Yamgar, Ramesh Mali, Suraj N. Purohit, Vipul P. Bhagat, Devidas Wavhal, Swati. D.

Interaction of Electronically Excited CO(a^3 Π_r) Molecules with H, H2, and H2O: Potential Energy Surfaces and Reaction Kinetics

صفحه 837 - 851   دوره 11    شماره 4
Pelevkin, Alexey V. Sharipov, Alexander S Loukhovitski, Boris I.

Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review

صفحه 825 - 835   دوره 11    شماره 4
R, Dileep N, Ashwini S, Ranganatha

COMPUTATIONAL INVESTIGATION OF GENIPOSIDIC ACID AS AN ANTICANCER AGENT USING MOLECULAR DOCKING, MOLECULAR DYNAMIC SIMULATION, DFT CALCULATION, AND OSIRIS-MOLINSPIRATION PROFILING

صفحه 801 - 823   دوره 11    شماره 4
SAHA, SUPRIYO SAH, ARCHANA N JOSHI, BHUWAN CHANDRA JUYAL, VIJAY

Comparative Kinetic Study of Palladium(II) Catalyzed and Uncatalyzed Oxidation of Ambroxol Hydrochloride with Potassium Permanganate in an Aqueous Alkaline Medium: A Mechanistic Approach

صفحه 865 - 875   دوره 11    شماره 4
K. S., Ravindra Shastry, Vidyavati A. S., Shashidhar Kumar, Mohan

Adsorption of Some Gas Molecules on the Surface of Graphene Nanoflakes

صفحه 877 - 887   دوره 11    شماره 4
Rafiei, Maryam Namazian, Mansoor

Removal of Formaldehyde from Aqueous Solution Using Low-cost and Reusable Adsorbents

صفحه 853 - 864   دوره 11    شماره 4
Solanki, Reena Lin, Yu-Chih Shams, Marwah A. Aravindhan, Surendar Kzar, Hamzah H. Al-Gazally, Moaed E. Margiana, Ria Altimari, Usama S. Alnassar, Yasir S. Mohammed, Borhan Mustafa Ibrahim, Anfal Ismael Mustafa, Yasser Fakri

A Numerical Investigation of the Thermal Transport Properties of Argon + Hydrogen Plasma Working Gases in the Presence of Various TiO2 Precursor Solutions

صفحه 897 - 912   دوره 11    شماره 4
Candidato, Rolando Jr T Simfroso, Key T Liboon, Alfredo Jr Q

Thermophysical Study of Ethylene Glycol + H2O and Ethylene Glycol + (DMF/H2O) at 298.15 K

صفحه 889 - 896   دوره 11    شماره 4
Al-Dulaimy, Zainab Abbas Farooq, Azhar Hassan, Huda Radhi, Israa Abdoun, Sarab Al-Heetimi, Dhafir Tamween Ajeel

Methods of Recycling Expanded Polystyrene Waste: Synthesis and Characterization

صفحه 943 - 951   دوره 11    شماره 4
Mohammed El Amine, Zennaki Brahim, Bouras Lahcene, Tennouga Kouider, Medjahed

Elaboration and Characterization of Organo-Ghassoul (Moroccan Clay) as an Adsorbent Using Cationic Surfactant for Anionic Dye Adsorption

صفحه 913 - 928   دوره 11    شماره 4
Zyade, Souad Mechnou, Issam El Mahbouby, Abdelfattah Ezaier, Yassine

Adsorption of Vanadium Using Amberlite IRA-68 Resin from Aqueous Solution: Kinetics and Thermodynamics Studies

صفحه 929 - 942   دوره 11    شماره 4
Taghizadeh, Majid Sid Kalal, Hossein Outokesh, Mohammad Ghoddocy Nejad, Davood Khanchi, Ali Reza

Novel Styrylquinoline Derivatives as Potential Anticancer Agents, In-Silico studies by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulations

صفحه 953 - 967   دوره 11    شماره 4
Goudzal, Amina Oussama, Cheddadi Ouammou, Abdelkrim El Aissouq, Abdellah El Ghalia, HADAJI Hicham, El Hamdani Bouachrine, Mohammed

The Perlite-calcium Alginate-activated Carbon Composite as an Efficient Adsorbent for the Removal of Dyes from Aqueous Solutions

صفحه 1 - 16   دوره 9    شماره 1
Chegeni, Mahdieh Fekri, Mohammad Hosein Etemadpour, Sorour

Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure

صفحه 31 - 42   دوره 9    شماره 1
Mashmoul Moghadam, Seyed Mojtaba Shokooh Saljooghi, Amir Izadyar, Mohammad

Synthesis of KOH@CaO Catalyst by Sol-gel Method for Highly Efficient Biodiesel Production from Olive Oil

صفحه 43 - 55   دوره 9    شماره 1
Bazhdan, Eshaq Tamjidi, Sajad Esmaeili, Hossein Rouhi, Parham

Grafting Drugs to Functionalized Single-wall Carbon Nanotubes as a Potential Method for Drug Delivery

صفحه 57 - 68   دوره 9    شماره 1
Heidarian, Maryam Saien, Javad Khazaei, Ardeshir

Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent

صفحه 17 - 30   دوره 9    شماره 1
Maasumi, Farid Darabi, Jaber Adel Niaei, Hadi Rostamizadeh, Mohammad

Interconversions among the E⇆Z-Carotene Isomers: Theoretical Study

صفحه 69 - 83   دوره 9    شماره 1
Darijani, Mahdieh Shahraki, Mehdi Habibi-Khorassani, Sayyed Mostafa

Electrochemical Evaluation of the Catalytic Effect of Natural Phosphate on the Oxidation of Aascorbic Acid: Analytical Application in Human Blood

صفحه 85 - 98   دوره 9    شماره 1
EL Ouafy, Hayat EL Ouafy, Tarik Oubenali, Mustapha Mbarki, Mohamedi Echajia, Malika

Studies on the Interaction between Derivatives of 9-Aacridinyl Amino Acid as Anticancer Drugs and Functionalized Carbon Nanotubes: ONIOM2-PCM Approach

صفحه 99 - 106   دوره 9    شماره 1
Madadi Mahani, Nosrat

Synthesis, Characterization and Spectroscopic Studies on the Interaction Between 𝞫-Casein and Co)II( Schiff Base Complex

صفحه 123 - 135   دوره 9    شماره 1
Mohseni-Shahri, Fatemeh S. Moeinpour, Farid Jamalinezhad, Abolfazl

Detection of Cyanogen Halides by B36 Nanocluster: DFT Study

صفحه 107 - 121   دوره 9    شماره 1
Shojaie, Fahimeh Tayebi, Neda

Kinetics of Corn Oil Methanolysis Reaction over Na-Modified Mesoporous Gamma Alumina Catalyst

صفحه 137 - 149   دوره 9    شماره 1
Yacob, Abdul Rahim Bello, Abdu Muhammad

Adsorption Behavior, Electronical and Thermodynamic Properties of Ornidazole Drug on C60 Fullerene Doped with Si, B and Al: A Quantum Mechanical Simulation

صفحه 151 - 164   دوره 9    شماره 1
Bazvand, Rahim Fekri, Mohammad Hossein Solymani, Mousa Razavi Mehr, Maryam

Fe-Loaded CeO2 Nanosized Prepared by Simple Co-Precipitation Route

صفحه 713 - 720   دوره 6    شماره 4
Farahmandjou, Majid Dastpak, Mahkameh

QSAR, Docking and Molecular Dynamics Studies on the Piperidone-grafted Mono- and Bis-spiro-oxindole-hexahydropyrrolizines as Potent Butyrylcholinesterase Inhibitors

صفحه 685 - 711   دوره 6    شماره 4
Amiri, Majid Fazli, Mostafa Ajloo, Davood

Study of HMS Modified ZrO2 Supported Platinum Catalysts for Toluene Removal: Catalytic Combustion and Kinetics Study

صفحه 721 - 728   دوره 6    شماره 4
Valipour Shokoohi, Mehrdad Parsafard, Nastaran Peyrovi, Mohammad Hassan

Determination and Modeling the Activity Coefficients of 1-Propyl-3- methylimidazolium Bromide in the Ethanol + Water Mixtures at T = (298.2, 308.2 and 318.2) K

صفحه 741 - 758   دوره 6    شماره 4
Khoshalhan-Rastekenari, Maryam Ghalami-Choobar, Bahram

Graphitic Carbon Nitride/Reduced Graphene Oxide/Silver Oxide Nanostructures with Enhanced Photocatalytic Activity in Visible Light

صفحه 729 - 740   دوره 6    شماره 4
Gholami, M. R. Salari, Hadi Daliri, Azar

Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4

صفحه 759 - 771   دوره 6    شماره 4
Amani, Ali Mohammad Esmaeili, Hossein Ghasemi, Younes Mojoudi, Fatemeh Arjomand, Omid Mousavi, Seyyed Mojtaba Hashemi, Seyyed Alireza Babapoor, Aziz

A Nonextensive Electrolyte UNIQUAC Model for Prediction of Mean Activity Coefficients of Binary Electrolyte Solutions

صفحه 773 - 784   دوره 6    شماره 4
Rohani, A. A. Rezaei, H. Abdolrahimi, S. Pazuki, Gholamreza

Preparation of Iron-cobalt-cerium Heterogeneous Nano-catalysts to Produce Light Hydrocarbons from Synthesis Gas

صفحه 785 - 794   دوره 6    شماره 4
Atashi, Hossein Hashemzehi, Hesam Aldin Mirzaei, Ali Akbar Rezaeian, Fatemeh

Improvement of Methyl Ester Production through Modified Rice Bran as a Heterogeneous Catalyst

صفحه 805 - 814   دوره 6    شماره 4
Fereidooni, Leila Pirkarami, Azam

Effects of Functionalization of Carbon Nanotubes on Activity and Selectivity of Co/CNT Catalysts in Fischer-Tropsch Synthesis

صفحه 795 - 804   دوره 6    شماره 4
Asghari, Alireza Zamaniyan, Akbar Hatami, Behnam Tavassoli, Ahmad Zamani, Yahya

Effect of Surfactants on Pressure Drop in Vertical Water-Air and Gas Condensate-Air Two-Phase Vertical Flow

صفحه 815 - 824   دوره 6    شماره 4
Binazadeh, Mojtaba Esmaeilzadeh, Fereidun Farhangian, Hamed

Removal of Zn(II) from Aqueous Solutions Using NiFe2O4 Coated Sand as an Efficient and Low Cost Adsorbent: Adsorption Isotherm, Kinetic and Thermodynamic Studies

صفحه 839 - 855   دوره 6    شماره 4
Mohseni-Shahri, Fatemeh S. Ghaderi, Sajjad Moeinpour, Farid

Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA

صفحه 825 - 838   دوره 6    شماره 4
Azarhazin, Ebrahim Izadyar, Mohammad Housaindokht, Mohammed Reza

Molecular Development of Silver Nanoparticles-loaded Poly Acrylic Acid Hydrogel as a Catalyst for Dye Degradation

صفحه 857 - 869   دوره 6    شماره 4
Rashidiani, Jamal Heidari, Ali Moghimi, Hamid Taheri, Ramezanali

DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery

صفحه 871 - 878   دوره 6    شماره 4
Mohammadi-Manesh, Hossein Ghasemi, Abdolmajid Babaiee, Mohsen Loghavi, Mohammad Mohsen Eqra, Rahim

A Novel QSAR Model for the Evaluation and Prediction of (E)-N’-Benzylideneisonicotinohydrazide Derivatives as the Potent Anti-mycobacterium Tuberculosis Antibodies Using Genetic Function Approach

صفحه 479 - 492   دوره 6    شماره 3
Uzairu, Adamu Adeniji, Shola Elijah Uba, Sani

Theoretical Study on Structure and Electronic Properties of Aniline-5-Membered Heterocyclic Co-oligomers

صفحه 463 - 478   دوره 6    شماره 3
Dadras, Abbass Nateghi, Mohammad Reza Kalantari-Fotooh, Frough

Investigation of Structural and Optoelectronic Properties of Sc2O3 Nanoclusters: A DFT Study

صفحه 493 - 504   دوره 6    شماره 3
Vahedpour, Morteza Shaterian, Maryam Hosseini, Saeideh Rezvani, Mohammad Ali

Experimental and Theoretical Studies on a Derivative of Tetrahydro-1H-Benzodiazepine

صفحه 505 - 519   دوره 6    شماره 3
Yahyaei, Saeideh Vessally, Esmaeil Mahmoodi Hashemi, Mohammad

Biodiesel Production from Chicken Fat Using Nano-calcium Oxide Catalyst and Improving the Fuel Properties via Blending with Diesel

صفحه 521 - 529   دوره 6    شماره 3
Keihani, Masoumeh Rouhi, Parham Esmaeili, Hossein

Investigation of Volumetric and Acoustic Properties of Ionic Liquid + Amino Acid + Water Systems at Different Temperatures

صفحه 531 - 546   دوره 6    شماره 3
Noshadi, Sajjad Sadeghi, Rahmat

Adsorption of Acid Dyes on Modified Mesoporous SBA-15: Comparison of Two Dyes

صفحه 565 - 581   دوره 6    شماره 3
Tayebi, Habib-Allah Yazdanshenas, Mohammad Esmail Mirzaie, Maryam Rashidi, Abosaeed

DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions

صفحه 547 - 563   دوره 6    شماره 3
Esfandfard, Seyed Mahmoud Behjatmanesh-Ardakani, Reza Kargar, Hadi Elahifard, Mohammad Reza

Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study

صفحه 583 - 598   دوره 6    شماره 3
Mohammadi, Mohsen Kalantari Fotooh, Forough Nateghi, Mohammad Reza

Correlations and Predictions of THF + 2-Alkanol Binary Mixtures Behaviour by PC-SAFT Model and Friction Theory

صفحه 599 - 612   دوره 6    شماره 3
Almasi*, Mohammad

Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite

صفحه 613 - 625   دوره 6    شماره 3
Bougdah, Nabil Bousba, Salim Messikh, Nabil Magri, Pierre

Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies

صفحه 627 - 638   دوره 6    شماره 3
Fani, Najme Bordbar, Abdol-Khalegh Adibipour, Zahra Sahihi, Mehdi

Study of Dehydrogenation of Pressure-induced NaBH4 Structures Using Calculated NQCC Parameters

صفحه 657 - 666   دوره 6    شماره 3
Rafiee, Marjan A.

Investigating the Effect of Doping Graphene with Silicon in the Adsorption of Alanine by Density Functional Theory

صفحه 639 - 655   دوره 6    شماره 3
Jalali Sarvestani, Mohammad Reza Ahmadi, Roya

Substituent Effects on the Structural and Nonlinear Optical Properties of 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone and Some of its Substituted Derivatives- a Theoretical Method

صفحه 667 - 683   دوره 6    شماره 3
Ajibade, Adejoro Esan, Timothy Oluwaseun Oyeneyin, Oluwatoba Emmanuel

pH Effect on the Size of Graphene Quantum dot Synthesized by Using Pulse Laser Irradiation

صفحه 237 - 250   دوره 6    شماره 2
Aghelifar, Mehrnoush Kimiagar, Salimeh

Anion˗π and Intramolecular Hydrogen Bond Interactions in the Various Complexes of 1,3,5-Triamino-2,4,6-trinitrobenzene with H-, F-, Cl- and Br- Anions

صفحه 251 - 262   دوره 6    شماره 2
Rezvani Rad, Omid Nowrozi, Alireza

Comparative Computational Studies of 1,4-Diformyl-piperazine and 1,4-Dithionyl-Piperazine

صفحه 263 - 285   دوره 6    شماره 2
Yahia Cherif, Fatima Bensaid, Okkacha Mostefai, Asmaa Rahmouni, Ali

A Simple Equation for the Thermal Conductivity of Saturated Vapor Refrigerants

صفحه 287 - 294   دوره 6    شماره 2
Hashemi-Moghaddam, Hamid Vakili, Mohammad Hasan Mehmadi-Kartalaie, Alireza Mohammadi Nafchi, Abdorreza

Evaluation of Methyl Ester Production Using Cement as a Heterogeneous Catalyst

صفحه 323 - 333   دوره 6    شماره 2
Pirkarami, Azam Fereidooni, Leila Khalilnezhad, R.

Solubility Parameter of Fluids from Molecular Thermodynamic Model

صفحه 295 - 307   دوره 6    شماره 2
Alavianmehr, Mohamad Mehdi Akbari, Falamarz

Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF

صفحه 309 - 321   دوره 6    شماره 2
Afshari, Sadegh Jahanbin Sardroodi, Jaber

A New Surface Tension Model for Prediction of Interaction Energy between Components and Activity Coefficients in Binary Systems

صفحه 335 - 363   دوره 6    شماره 2
Bakhshaei, Maliheh Bagheri, Ahmad Fazli, Mostafa

Determination of the Deactivation Model of Iron-potassium/γ-Al2O3 Catalyst in a Fixed Bed Reactor

صفحه 365 - 375   دوره 6    شماره 2
Atashi, Hossein Veiskarami, Somayyeh

Spontaneous Adsorption, and Selective Sensing of CO, and CO2 Greenhouse Gaseous Species by the more Stable Forms of N4B4 Clusters

صفحه 377 - 385   دوره 6    شماره 2
Pakravan, Parvaneh

Fabrication of Magnetically Recoverable Nanocomposites by Combination of Fe3O4/ZnO with AgI and Ag2CO3: Substantially Enhanced Photocatalytic Activity under Visible Light

صفحه 415 - 431   دوره 6    شماره 2
Golzad-Nonakaran, Behrouz Habibi-Yangjeh, Aziz

Optimizing the Preparation Conditions of Silica Supported Fe-Co-Ce Ternary Catalyst for the Fixed-bed Fischer-Tropsch Synthesis: Taguchi Experimental Design Approach

صفحه 387 - 397   دوره 6    شماره 2
Mirzaei, Ali Akbar MohammadRezapour, Maria Zohdi-Fasaei, Hossein

KCl Promoted Cobalt-iron Nanocatalysts Supported on Silica: Catalytic Performance and Characterization in Fischer-Tropsch Synthesis

صفحه 399 - 414   دوره 6    شماره 2
Feyzi, Mostafa Joshaghani, Mohammad Nadri, Shirin

Application of Carnahan-Starling-vdW-β Equation of State for Refrigerant Fluids

صفحه 447 - 462   دوره 6    شماره 2
Hosseini, S. Mostafa

Removal of Methyl Orange from Aqueous Solutions by Ferromagnetic Fe/Ni Nanoparticles

صفحه 433 - 446   دوره 6    شماره 2
Sarvari, Hossein Goharshadi, Elaheh K. Samiee, Sara Ashraf, Narjes

Chemisorption of Pyrimidine Nucleotide Onto Exterior Surface of Pristine B12N12 Nanocluster: A Theoretical Study

صفحه 1 - 14   دوره 6    شماره 1
Kamalinahad, Saeedeh Jouypazadeh, Hamidreza Solimannejad, Mohammad Noormohammadbeigi, Motaharehm

Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems

صفحه 15 - 29   دوره 6    شماره 1
Shariatinia, Zahra ---

Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study

صفحه 31 - 43   دوره 6    شماره 1
Rezaei Sameti, Mahdi Behbahani, H. J.

Magnetorheological and Volumetric Properties of Starch and Polyethylene Glycol Solutions in the Presence of NiO Nanoparticles

صفحه 45 - 66   دوره 6    شماره 1
Zendehasbagh, Sevda Majdan-Cegincara, Roghayeh

Interactions of Deferasirox as a Chelating Agent with Al and Ga Cations: A Theoretical Study on the [M(DFX)2]3- Nanostructures

صفحه 67 - 82   دوره 6    شماره 1
Izadyar, Mohammad Salehi, Samie Saljooghi, Amir Shokooh

Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors

صفحه 83 - 103   دوره 6    شماره 1
Ghalami-Choobar, Bahram Moghadam, Homa

A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution

صفحه 105 - 113   دوره 6    شماره 1
Tayebi, Tuba Osfouri, Shahriar Azin, Reza

DFT Study of N-hydroxyurea Adsorption Behavior onto Pristine and Iron-doped Single-walled Carbon Nanotube

صفحه 115 - 132   دوره 6    شماره 1
Hesabi, Maryam Behjatmanesh-Ardakani*, Reza

Theoretical Study of the Correlation between 14N NQCC and Its Partial Atomic Charge in Amino Derivatives of Adamantane

صفحه 133 - 142   دوره 6    شماره 1
Afshari, Sadegh

Theoretical Study on the Kinetics of the Reaction of C2H with C2H2

صفحه 143 - 157   دوره 6    شماره 1
Saheb, Vahid Noorbala, Mohammad Reza Amiri, Ahmad

Optimization of Swelling Percentage of Poly(AAm-co-AA) in BaCl2 Salt Solution Using Response Surface Methodology (RSM)

صفحه 159 - 172   دوره 6    شماره 1
Mowla, Dariush Heidari, Samira Esmaeilzadeh, Fereidun Ghasemi, Sohila

Toward the Development of a Robust Kinetic Model for the Cobalt Fischer-Tropsch Catalyst Lifetime Using a Novel Sigmoidal Pattern

صفحه 173 - 192   دوره 6    شماره 1
Khorashadizadeh, Mahdi Atashi, Hossein

Beyond the Limitations of API RP-14E Erosional Velocity -A Field Study for Gas Condensate Wells

صفحه 193 - 207   دوره 6    شماره 1
Ariana, Mohammad Amin Esmaeilzadeh, Fereidun Mowla, Dariush

Analytic Equation of State for the Square-well Plus Sutherland Fluid from Perturbation Theory

صفحه 225 - 238   دوره 6    شماره 1
Koyuncu, Mustafa

Quantitative Structure Activity Relationship Analysis of Coumarins as Free Radical Scavengers by Genetic Function Algorithm

صفحه 209 - 223   دوره 6    شماره 1
Alisi, Ikechukwu Ogadimma Abechi, Stephen Eyije Idris, Sulaiman Ola Uzairu, Adamu

Calculation of Thermodynamic Parameters of [2.4.6] Three Nitro Toluene (TNT) with Nanostructures of Fullerene and Boron Nitride Nano-cages over Different Temperatures, Using Density Functional Theory

صفحه 617 - 627   دوره 5    شماره 4
Ebrahimikia, Maryam Ahmadi, Roya

Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis

صفحه 643 - 658   دوره 5    شماره 4
Shayesteh, Alireza Ghazizadeh, Ehsan

Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC)

صفحه 681 - 689   دوره 5    شماره 4
Rafiee, Marjan A.

Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters

صفحه 691 - 707   دوره 5    شماره 4
Shamseddini, Arash Esmaeilzadeh, Fereidun Mowla, Dariush

Physical Chemistry Studies of Acid Dye Removal from Aqueous Media by Mesoporous Nano Composite: Adsorption Isotherm, Kinetic and Thermodynamic Studies

صفحه 659 - 679   دوره 5    شماره 4
Yazdanshenas, Mohammad Esmail Tayebi, Habib-Allah Akbartabar, Iman Nasirizadeh, Navid

Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid

صفحه 629 - 641   دوره 5    شماره 4
Shoghi Toosi, Monireh Gordi, Zinat Rahbarian, Rahele Ravari, Fatemeh Fazeli, Morteza

Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study

صفحه 727 - 736   دوره 5    شماره 4
Shirvani, Samira Ghashghaee, Mohammad

Quantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo-β-lactamase by Penicillin and Cephalexin: Kinetic and Thermodynamic Points of View

صفحه 709 - 725   دوره 5    شماره 4
Ghiasi, Mina Noohi, Bahare Zahedi, Mansour

A Density Functional Theory Investigation of d8 Transition Metal(II) (Ni, Pd, Pt) Chloride Complexes of Some Vic-dioximes Derivatives

صفحه 737 - 754   دوره 5    شماره 4
Nogheu, Ludovid Ngouo Ghogomu, Julius Numbonui Nkungli, Nyiang Kennet Mama, Désiré Bikélé Younang, Elie

Mean Activity Coefficients Measurements and Thermodynamic Modeling of the Ternary Mixed Electrolyte KCl + Lactose + Water System at T = 298.15 K

صفحه 783 - 794   دوره 5    شماره 4
Norouzi, Nazanin Zahra Bagherinia, Mohammad Ali

Ab Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes

صفحه 771 - 781   دوره 5    شماره 4
Vatanparast, Morteza Parvini, Elahe Saedi, Leila

Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol

صفحه 755 - 769   دوره 5    شماره 4
Habibi-khorassani, Sayeydmosatfa Shahraki, Mehdi AnsariFard, Mohammad Hatami, Ali Narouei, Simin

N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels

صفحه 819 - 830   دوره 5    شماره 4
Mohebi, Nazanin Kassaee, Mohammad Zaman

DFT Studies and Topological Analyses of Electron Density on Acetophenone and Propiophenone Thiosemicarbazone Derivatives as Covalent Inhibitors of Falcipain-2, a Major Plasmodium Falciparum Cysteine Protease

صفحه 795 - 817   دوره 5    شماره 4
Ghogomu, Julius Numbonui Nkungli, Nyiang Kennet

The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study

صفحه 831 - 839   دوره 5    شماره 4
Farsad, Maryam Elahifard, MohammadReza Behjatmanesh-Ardakani, Reza

Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study

صفحه 425 - 437   دوره 5    شماره 3
Izadyar, Mohammad Khavani, Mohammad

Chemical Kinetics for Reaction of 5-Nitro-1H-benzo[d]imidazole to Produce 6-Nitro-1H-benzo[d]imidazole and Calculation of Heat Capacity of Activation

صفحه 409 - 424   دوره 5    شماره 3
Mohammadi, Marzyeh Hashemi Dashtaki, Seyedeh Leila Ramazani, Shapour Karami, Bahador

Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs

صفحه 447 - 463   دوره 5    شماره 3
Shafiei Gol, Heydar Ali Noura, Mehdi

Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study

صفحه 439 - 446   دوره 5    شماره 3
Siaka, Abdulfatai Adabara Idris, Sulaiman Uzairu, Adamu Abba, Hamza

Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA)

صفحه 483 - 496   دوره 5    شماره 3
Karami, Leila Tazikeh-Lemeski, Elham Saboury, Ali Akbar

Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model

صفحه 505 - 518   دوره 5    شماره 3
Mohammadian-Abriz, Ali Majdan-Cegincara, Roghayeh

The Effect of Substrate on Structural and Electrical Properties of Cu3N Thin Film by DC Reactive Magnetron Sputtering

صفحه 497 - 504   دوره 5    شماره 3
Razeghizadeh, Alireza Mahmoudi Ghalvandi, Maryam Sohillian, Farhang Rafee, Vahdat

A Fugacity Approach for Prediction of Phase Equilibria of Methane Clathrate Hydrate in Structure H

صفحه 465 - 481   دوره 5    شماره 3
Sinehbaghizadeh, Saeed Roosta, Aliakbar Javanmardi, Jafar Mohammadi, Amir H.

Adsorption Properties of Folic Acid onto Functionalized Carbon Nanotubes: Isotherms and Thermodynamics Studies

صفحه 519 - 529   دوره 5    شماره 3
Hamedani, Shahla Felrgari, Zahra

Conductometric Study of the Thermodynamics of Micellization of Sodium dodecylsulfate (SDS) in the Presence of Some Aromatic Ammonium Salts

صفحه 531 - 540   دوره 5    شماره 3
Owoyomi, Olanrewaju Funso Olorunyomi, Joseph Emmanuel Olaoye, Oluwasegun

Spectroscopic, Thermodynamic and Molecular Docking Studies on Interaction of Toxic Azo Dye with Bovine Serum Albumin

صفحه 541 - 554   دوره 5    شماره 3
Rasouli, Nahid Sohrabi, Nasrin Rezvani, Naficea Ajloo, Davood

Surface Tension Prediction of n-Alkanes by a Modified Peng-Robinson Equation of State Using the Density Functional Theory

صفحه 569 - 583   دوره 5    شماره 3
Yazdanshenas, Zakieh Farzi, Nahid

The Effect of pH on the Liquid-liquid Equilibrium for a System Containing Polyethylene Glycol Di-methyl Ether and Tri-potassium Citrate and its Application for Acetaminophen Separation

صفحه 555 - 567   دوره 5    شماره 3
Shekaari, Hemayat Zafarani-Moattar, Mohammed T. Jafari, Parisa

Geometric and Electronic Structures of Vanadium Sub-nano Clusters, Vn (n = 2-5), and their Adsorption Complexes with CO and O2 Ligands: A DFT-NBO Study

صفحه 601 - 615   دوره 5    شماره 3
Pakiari, Ali Haidar Eshghi, Fazlolah

The Application of Hybrid RSM/ANN Methodology of an Iron-based Catalyst Performance in Fischer-Tropsch Synthesis

صفحه 585 - 600   دوره 5    شماره 3
Razmjooie, Afshin Atashi, Hossein Shahraki, Farhad

Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study

صفحه 205 - 219   دوره 5    شماره 2
Gholami, Samira Bordbar, Abdol-Khalegh

Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)

صفحه 221 - 237   دوره 5    شماره 2
Fathollahi, Manoochehr Azizi Toupkanloo, Hossein

Theoretical Study on the Chemical Reactivity in the Armchair Single-walled Carbon Nanotube: Proton and Methyl Group Transfer

صفحه 239 - 251   دوره 5    شماره 2
Achouri, Bilal Belmiloud, Yamina Brahimi, Meziane

Sono-synthesis of Novel Magnetic Nanocomposite (Ba-α-Bi2O3-γ-Fe2O3) for the Solar Mineralization of Amoxicillin in an Aqueous Solution

صفحه 253 - 268   دوره 5    شماره 2
Ramandi, Sara Entezari, Mohammad H. Ghows, Narjes

Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K

صفحه 269 - 279   دوره 5    شماره 2
Razavizadeh, Seyed Ahmad Sheikh, Setareh Nassaj Gerowgi, Zeinab

Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants

صفحه 281 - 292   دوره 5    شماره 2
Meghdadi Isfahani, Amir Homayoon Reiszadeh, Mehdi Yaghoubi Koupaye, Somaye Honarmand, Mehrdad

The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study

صفحه 309 - 315   دوره 5    شماره 2
Farmanzadeh, Davood Rezainejad, Hamid

Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution

صفحه 293 - 307   دوره 5    شماره 2
Golestani, Ghasem Gholamhosseinzadeh, Mohammad Reza Shahidi Zandi, Mehdi

Application of GMA Equation of State to Study Thermodynamic Properties of 2-Amino-2-methyl-1-propanol as an Efficient Absorbent for CO2

صفحه 317 - 328   دوره 5    شماره 2
Naderi, Shabnam Goharshadi, Elaheh K. Ahmadzadeh, Hossein

Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil

صفحه 329 - 338   دوره 5    شماره 2
Pourbeiram, Nastaran Bashiri, Hadis

Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers

صفحه 339 - 357   دوره 5    شماره 2
Fallahah, Mehrdad Ershad-Langroudi, Amir Rabiee, Ahmad Ghashghaee, Mohammad

Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys

صفحه 359 - 366   دوره 5    شماره 2
Arianfar, Fatemeh Rostamian, Raheleh Behnejad, Hassan

A First-Principles Study on Interaction between Carbon Nanotubes (10,10) and Gallates Derivatives as Vehicles for Drug Delivery

صفحه 367 - 375   دوره 5    شماره 2
Madadi Mahani, Nosrat

Modulation Response and Relative Intensity Noise Spectra in Quantum Cascade Lasers

صفحه 377 - 394   دوره 5    شماره 2
Waried, Hussein

Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma

صفحه 395 - 408   دوره 5    شماره 2
Sadeghzadeh Ahari, Jafar Ravari, Fatemeh Fazeli, Seyed Morteza Bozorgzadeh, Hamid Reza

Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts

صفحه 1 - 11   دوره 5    شماره 1
Moradmand Jalali, Hamed

Measurement of Selected Thermophysical and Viscosity of Binary Mixtures of Nitromethane with 2-Propanol, 2-Butanol and 2-Pentanol

صفحه 13 - 24   دوره 5    شماره 1
Almasi, Mohammad

Two-level Full Factorial Design for Selectivity Modeling and Studying Simultaneous Effects of Temperature and Ethanol Concentration in Methanol Dehydration Reaction

صفحه 41 - 56   دوره 5    شماره 1
Zohdi-Fasaei, Hossein Mirzaei, Ali Akbar Atashi, Hossein Farshchi Tabrizi, Farshad

Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies

صفحه 25 - 39   دوره 5    شماره 1
Housaindokht, Mohammed Reza Rouhbakhsh Zaeri, Zeinab Farhangi, Marjan Ashraf, Narges Monhemi, Hassan

The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound

صفحه 57 - 68   دوره 5    شماره 1
Khanmohammadi, Azadeh Ravari, Fatemeh

An Improved Correlation for Second Virial Coefficients of Pure Fluids

صفحه 69 - 79   دوره 5    شماره 1
Razavizadeh, Seyed Ahmad

New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent

صفحه 81 - 98   دوره 5    شماره 1
Alimohammadi, Masoud Ghasemian Lemraski, Ensieh Sharafinia, Soheila

Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He

صفحه 99 - 112   دوره 5    شماره 1
Bordbar, Gholam Hossein Mizani, S. Mohammadi Sabet, M. T.

Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study

صفحه 135 - 152   دوره 5    شماره 1
Ghambarian, Mehdi Ghashghaee, Mohammad Azizi, Zahra

Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme

صفحه 113 - 123   دوره 5    شماره 1
Sohrabi, Nasrin - Raissi, Marziyeh Rasouli, Nahid

Effect of Magnetic Field on the Liquid-liquid Equilibria of (Water + Acetic Acid + Organic Solvent) Ternary Systems

صفحه 125 - 134   دوره 5    شماره 1
Bahrpaima, Khatereh Bijanzadeh, Ali Reza Behzadi, Mehdi

Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach

صفحه 153 - 166   دوره 5    شماره 1
Moradi, Mahmood Binaei Ghotbabadi, Bahareh

Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization

صفحه 195 - 204   دوره 5    شماره 1
Ahmadi, Mojtaba Vasseghian, Yasser Joshaghani, Mohammad

pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release

صفحه 185 - 193   دوره 5    شماره 1
Heydari, Ali Ghorbanloo, Massomeh

Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach

صفحه 167 - 183   دوره 5    شماره 1
Roohi, Hossein Jahantab, Mahjobeh

QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic

صفحه 519 - 530   دوره 4    شماره 4
Housaindokht, Mohammad Reza Barani, Elham Izadyar, Mohammad

Computational Study on Reduction Potential of [CoP4N2(OH2)2]2+ as a Super-Efficient Catalyst in Electrochemical Hydrogen Evolution

صفحه 531 - 538   دوره 4    شماره 4
Mousavi-khoshdel, Seyed Morteza Molaei, Masoumeh Ghiasi, Mina

Electron Ionization of Serine and Threonine: a Discussion about Peak Intensities

صفحه 539 - 551   دوره 4    شماره 4
Bahrami, Hamed Farajmand, Bahman

Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism

صفحه 553 - 565   دوره 4    شماره 4
Izadyar, Mohammad Peymani, Samira Nakhaeipour, Ali

Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions

صفحه 583 - 589   دوره 4    شماره 4
Solimannejad, Mohammad Zebardasti, Abedin Hosseini, Seyyedeh Marziyeh

Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study

صفحه 591 - 605   دوره 4    شماره 4
Solimannejad, Mohammad Jouypazadeh, Hamidreza Noormohammadbeigi, Motahareh Kamalinahad, Saeedeh

A Computational Study on the Stability of Dapdiamide D Conformers

صفحه 567 - 581   دوره 4    شماره 4
Roghayeh Majdan‒Cegincara, Roghayeh Hosseinzadeh-Khanmiri, Rahim Ghadari, Rahim

Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory

صفحه 607 - 617   دوره 4    شماره 4
Azar, Yavar Taghipour Ahadi, Zohreh Shadman, Muhammad

DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene

صفحه 619 - 626   دوره 4    شماره 4
Shokuhi Rad, Ali

A Theoretical Study of Nonlinear Optical Features of Alumina Nanostructures with the Groups III and VI Dopants

صفحه 627 - 641   دوره 4    شماره 4
Solimannejad, Mohammad

Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid

صفحه 643 - 654   دوره 4    شماره 4
Tafazzoli, Mohsen Ghiasi, Mina Gerayeli, Narjes

PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods

صفحه 655 - 662   دوره 4    شماره 4
Farahmandjou, Majid Honarbakhsh, Sarvin Behrouzinia, Saeid

HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study

صفحه 693 - 706   دوره 4    شماره 4
Solimannejad, Mohammad Noormohammadbeigi, Motahareh

Measurement of Volumetric and Viscometric Properties of Binary Mixtures of Methyl Tert-butyl Ether (MTBE) + 1-Alcohol from 293.15 to 308.15 K and at Atmospheric Pressure

صفحه 673 - 691   دوره 4    شماره 4
Handali, Avatef Kianersi, Sina

Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model

صفحه 663 - 671   دوره 4    شماره 4
Salimi, Morteza Zarenezhad, Bahman Fakhraian, Hossein Choobdari, Ebrahim

Prediction and Optimization of the Effects of Combining Ultrasonic Waves and Solvent on the Viscosity of Residue Fuel Oil by ANN and ANFIS

صفحه 333 - 353   دوره 4    شماره 3
Rahimi, Masoud Mohammadi Doust, Akbar Feyzi, Mostafa

Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study

صفحه 315 - 332   دوره 4    شماره 3
Solimannejad, Mohammad Kamalinahad, Saeedeh Shakerzadeh, Ehsan

Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions

صفحه 355 - 368   دوره 4    شماره 3
Shekaari, Hemayat Mirheydari, Seyyedeh Narjes Zafarani-Moattar, Mohammed Taghi

Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder

صفحه 369 - 378   دوره 4    شماره 3
Sovizi, Mohammad Reza Madram, Ali Reza Fakhrpour, Ghasem

Kinetic Aspects of Tetrahydrobenzo[b]pyran Formation in the Presence of Fructose as a Green Catalyst: a Mechanistic Investigation

صفحه 379 - 390   دوره 4    شماره 3
Habibi-khorassani, Sayeydmosatfa Shahraki, Mehdi Ebraiimi, Ali Pourpanah, Sayyede Shadfar

Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol

صفحه 407 - 415   دوره 4    شماره 3
Heyhat, Mohhamad Mahdi Kimiagar, Salimeh Feyzi, Elnaz Ghanbaryan Sani Gasem Abad, Narjes

Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression

صفحه 391 - 405   دوره 4    شماره 3
Mirzaei, Ali Akbar Golestan, Somayeh Barakati, Seyed-Masoud

Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2)

صفحه 417 - 425   دوره 4    شماره 3
Saheb, Vahid

Calculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method

صفحه 441 - 449   دوره 4    شماره 3
Bordbar, Gholam Hossein Taheri, N.

Theoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes

صفحه 451 - 467   دوره 4    شماره 3
Shojaie, Fahimeh

Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing

صفحه 427 - 440   دوره 4    شماره 3
Gholizadeh, Mostafa Izadyar, Mohammad Noroozi-Shad, Nazanin

Accountability of Modern Adiabatic Connection-Based Double-Hybrids Constructed from Cubic and Quadratic Integrand Functions for Dipole Polarizabilities of Water Nanoclusters

صفحه 469 - 477   دوره 4    شماره 3
Alipour, Mojtaba

Phase Equilibria of the Ternary System Water + Phosphoric Acid + 1-Nonanol at Different Temperatures

صفحه 507 - 518   دوره 4    شماره 3
Shekarsaraee, Sina

An Accurate Correlation to Estimate Saturated Molar Volume of Liquids

صفحه 479 - 488   دوره 4    شماره 3
Honarmand, Mehrdad Pourgharib, Vahid Haghighat Nezhad, Mohammad Reza Beigi, Mohsen

Experimental and Theoretical Study of Phase Equilibria in Aqueous Mixtures of Lactic Acid with Benzyl Alcohol and p-Xylene at Various Temperatures

صفحه 489 - 505   دوره 4    شماره 3
Ghanadzadeh Gilani, Ali Seyed Saadat, S.L. Ahmadifar, S Ghanadzadeh Gilani, H Borji Peydeh, F

Fabrication and Characterization of Nanoporous Co Oxide (Co3O4) Prepared by Simple Sol-gel Synthesis

صفحه 153 - 160   دوره 4    شماره 2
Farahmandjou, Majid

Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties

صفحه 143 - 151   دوره 4    شماره 2
Mahvelati,, Tahreh Goharshadi, Elaheh K. Yazdanbakhsh, Mohammad

Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA

صفحه 161 - 172   دوره 4    شماره 2
Dezhampanah, Hamid

Theoretical Investigation of the Effect of (8,0) Single-walled Carbon Nanotubes on Acidity of Aliphatic Alcohols

صفحه 173 - 181   دوره 4    شماره 2
Kalantari Fotooh, Forough Baharizadeh, Maryam

Study of Volumetric Properties of N,N-Dimethyl Acetamide and 1-Alkanols Binary Mixtures at 298.15 K

صفحه 183 - 189   دوره 4    شماره 2
Kianersi, Sina

Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA)

صفحه 209 - 219   دوره 4    شماره 2
Razeghizadeh, Alireza Rafee, Vahdat

Experimental and Theoretical Study of Stable Phosphorus Ylides Derived from 5-Nitroindazole in the Presence of Different Acetyelenic Esters: Furthure Insight into the Reaction Mechanism

صفحه 221 - 230   دوره 4    شماره 2
Mohammadi, Leyla Zakarianezhad, Mohammad

Computational Study of the Mechanism, Reaction Rate and Thermochemistry of Atmospheric Oxidation of Methylamine with Singlet Oxygen

صفحه 191 - 208   دوره 4    شماره 2
Valehi Reykandeh, Samra Asgharzadeh, Somayeh Vahedpour, Morteza Douroudgari, Hamed Razavizadeh, Seyed Ahmad

Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin

صفحه 245 - 270   دوره 4    شماره 2
Shojaie, Fahimeh

Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study

صفحه 231 - 243   دوره 4    شماره 2
Houshmand, Fatemeh Schofield, Jeremy Jalili, Seifollah

Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme

صفحه 271 - 283   دوره 4    شماره 2
Rasouli, Nahid Sohrabi, Nasrin Zamani, Elham

Synthesis and Characterization of LiMnPO4/Carbon Nanocomposite Material as Cathode Material

صفحه 285 - 289   دوره 4    شماره 2
Lagashetty, Arunkumar Nagashetteppa Natraj, H. Rangappa, D.

A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite

صفحه 291 - 301   دوره 4    شماره 2
Rasouli, Nahid Movahedi, Maryam Salavti, Hossein Karamipour, Asma

A Computational Study on the Configurational Behaviors of Dihalodiazenes and their Analogues Containing P and As Atoms

صفحه 303 - 313   دوره 4    شماره 2
Yahyaei, Hooriye Mousavi, Seyede Negar

Optical Properties of Some Oligothiophene Derivatives: DFT Study

صفحه 35 - 46   دوره 4    شماره 1
Moshfegh, Mahboobeh Oftadeh, Mohsen Abdallah, Hassan Hadi

Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State

صفحه 17 - 33   دوره 4    شماره 1
Hekayati, Javad Javanmardi, Jafar Roosta, Aliakbar

The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study

صفحه 1 - 15   دوره 4    شماره 1
Ebrahimi, Ali Razmazma, Hafez Samareh Delarami, Hojat

A Study on the Aggregation and Calf Thymus DNA Binding Characteristics of Anionic Cobalt(II) Tetrasulfonated Phthalocyanine

صفحه 83 - 94   دوره 4    شماره 1
Rasouli, Nahid Sohrabi, Nasrin

Quantitative Modeling for Prediction of Critical Temperature of Refrigerant Compounds

صفحه 61 - 71   دوره 4    شماره 1
Saaidpour, Saadi

A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols

صفحه 73 - 82   دوره 4    شماره 1
Izadyar, Mohammad Kheirabadi, Ramesh

How Do Palladium Complexes Affect on Coil Structure of Human Serum Albumin in the Presence of Carbon Nanotube? A Molecular Dynamics Study

صفحه 47 - 60   دوره 4    شماره 1
Ajloo, Davood Alipour, Yasin Ghadamgahi, Maryam

DFT-PBE, DFT-D, and MP2 Studies on the H2O•••HNH and HOH•••NH2 Hydrogen Bonds in Water-Aniline Complexes

صفحه 95 - 107   دوره 4    شماره 1
Behjatmanesh-Ardakani, Reza

Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7)

صفحه 109 - 117   دوره 4    شماره 1
Mohammadian, Fatemeh Solimannejad, Mohammad Esrafili, Mehdi D

Volumetric, Acoustic and Conductometric Studies of Acetaminophen in Aqueous Ionic Liquid, 1-Octyl-3-methylimidazolium Bromide at T = 293.15-308.15 K

صفحه 119 - 141   دوره 4    شماره 1
Shekaari, Hemayat Ghaffari, Fariba Zafarani-Moattar, Mohammed Taghi

An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O

صفحه 279 - 291   دوره 3    شماره 4
Reiszadeh, Mehdi Sanjari, Ehsan Saviz Baktash, Mohammad Jali, Zahra

The Effect of Coinage Transition Metal (Cu, Ag, Au) Substitutions on Two-electron Redox Potential of Quinones

صفحه 179 - 189   دوره 3    شماره 3
Shariati Joor, Saeideh Pakiari, Ali Heidar

Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method

صفحه 191 - 196   دوره 3    شماره 3
Soflaee, Farzane Farahmandjou, Majid

QSAR Studies of the Dioxins and Interaction of OCDD with Calix[4] Arene Using DFT

صفحه 247 - 264   دوره 3    شماره 3
Shojaie, Fahimeh

Effect of Alkyl Tail on the Visible Spectra and Order Parameters S of some Azo N-Ester-1,8-naphthalimide(ANEN) Disperse Dyestuff

صفحه 229 - 237   دوره 3    شماره 3
Ghanadzadeh, Ali Shekarsaraee, Sina

Thermodynamics Binding of Tetrakis (2,3,5,6-Tetrafluoro-N,N′,Nʺ-Trimethyl Ammonium Phenyl) Porphyrin Nickel(II) With Calf Thymus DNA

صفحه 205 - 216   دوره 3    شماره 3
Rasouli, Nahid Sohrabi*, Nasrin Fateminasab, Fatemea

Non-Isothermal Degradation Kinetics of High Energy Protons Irradiated Polyvinyl Butyral

صفحه 217 - 228   دوره 3    شماره 3
Behnejad, Hassan Fathollahi, Manoochehr Shadman, Muhammad

Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block

صفحه 239 - 245   دوره 3    شماره 3
Nikoofard, Narges Maghsoodi, Fahimeh

Preparation, Characterization and Antibacterial Activity of Manganese Oxide Nanoparticles

صفحه 197 - 204   دوره 3    شماره 3
Shahtahmasebi*, Naser Mashreghi, Mansour Pordeli, Parvane Azhir, Elahe Etefagh, Reihane

Size Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters

صفحه 89 - 98   دوره 3    شماره 2
Mohajeri, Afshan Omidvar, Akbar

Sonochemical Green Method for Preparation of Mg-Doped ZnO Nanostructures in Water with Enhanced Photocatalytic Activity

صفحه 99 - 110   دوره 3    شماره 2
Nouri, Hadi Habibi-Yangjeh, Aziz

Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies

صفحه 125 - 143   دوره 3    شماره 2
Mohammad-Aghaie, Delara Keshavarz, Fatemeh

Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds

صفحه 155 - 167   دوره 3    شماره 2
Ravari, Fatemeh Khanmohammadi, Azadeh

Statistical Optimization of Liquid Phase Oxidation of Benzyl Alcohol over Efficient Cobalt Promoted Vanadyl Pyrophosphate Catalysts by Box-Behnken Design

صفحه 111 - 123   دوره 3    شماره 2
Mahdavi, Vahid Hasheminasab, Hamid Reza

Thermodynamic Study of the Ternary Electrolyte (1-Butyl-3-methylimidazolium chloride + sodium chloride + Water) System Using Potentiometric Measurements

صفحه 145 - 154   دوره 3    شماره 2
Ghalami-Choobar, Bahram Mossayyebzadeh-Shalkoohi, Parya

An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids

صفحه 169 - 178   دوره 3    شماره 2
Vakili, Mohammad Hasan Sanjari, Ehsan Jali, Zahra

Introduction to Schramm-Loewner evolution and its application to critical systems

صفحه 1 - 15   دوره 3    شماره 1
Rouhani, Shahin

An accurate General Method to Correlate Saturated Vapor Pressure of Pure Substances

صفحه 35 - 45   دوره 3    شماره 1
Sanjari, Ehsan Tarkesh Esfahani, Rasool

VLE Properties from ISM Equation of State: Application to Pure and Mixture

صفحه 16 - 23   دوره 3    شماره 1
Fadaei Nobandegani, Fatemeh Moghadasi, Jalil Alavian Mehr, Mohammad Mehdi

Solvation Force of Ellipse-Shaped Molecules Moving in One Dimension and Confined between Two Parallel Planar Walls

صفحه 58 - 66   دوره 3    شماره 1
Hashemi, Sahabeh Moradi, Mahmood

Synthesis of Au Nanoparticles by Thermal, Sonochemical and Electrochemical Methods: Optimization and Characterization

صفحه 24 - 34   دوره 3    شماره 1
Rezaei-moghadam, Babak Bagheri, Robabeh Ashassi-Sorkhabi, Habib Abdoli, Leila Asghari, Elnaz

Catalytic Decomposition of Methane and Ethylene into the Carbon and Hydrogen

صفحه 46 - 57   دوره 3    شماره 1
Mousavipour, S. Hosien Amini, Samad Shahamat, Maryam Doroodmand, Mohamad Mahdi

Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study

صفحه 67 - 77   دوره 3    شماره 1
Izadyar, Mohammad Khavani, Mohammad Housaindokht, Mohammad Reza Zavvar, Neda Reisi-vanani, Adel

A Neuro-Fuzzy Algorithm for Modeling of Fischer-Tropsch Synthesis over a Bimetallic Co/Ni/Al2O3 Catalyst

صفحه 78 - 88   دوره 3    شماره 1
Mirzaei, Ali Akbar Keikhah, Vahide Jistan, Hossein Nikparsa, Paria

A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations

صفحه 131 - 136   دوره 2    شماره 2
Oftadeh, Mohsen Madadi Mahani, Nosrat

Hydrogen Abstraction Reaction of Hydroxyl Radical with 1,1-Dibromoethane and 1,2-Dibromoethane Studied by Using Semi-Classical Transition State Theory

صفحه 123 - 130   دوره 2    شماره 2
Saheb, Vahid Solimannejad, Mohammad

How the Nonextensivity Parameter Affects Energy Fluctuations

صفحه 137 - 145   دوره 2    شماره 2
Keshavarzi, Ezat Kamalvand, Mohammad Helmi, Abbas

Vapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions

صفحه 159 - 170   دوره 2    شماره 2
Sadeghi, Rahmat Golabiazar, Roonak

Study of Activity Coefficient of Hydrochloric Acid in 2-Propanol-Water Mixture by Electromotive Force Measurement Method

صفحه 151 - 158   دوره 2    شماره 2
Ghosh, Manoj Kumar Ghosh, Sanjay Ghosh, Ashish Kumar

Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes

صفحه 146 - 150   دوره 2    شماره 2
Rezaee Roknabadi, Mahmood Khoshgoftar Maher, Maliheh Shahtahmassebi, Nasser

Interplay Between Lithium Bonding and Halogen Bonding in F3CX•••YLi•••NCCN and F3CX•••NCCN•••LiY Complexes (X = Cl, Br; Y = CN, NC)

صفحه 171 - 178   دوره 2    شماره 2
Bayatmanesh, Elahe Solimannejad, Mohammad Esrafili, Mehdi

A review of Fischer-Tropsch synthesis on the cobalt based catalysts

صفحه 179 - 201   دوره 2    شماره 2
Mirzaei, Ali Akbar Samimi, Abdoreza Arsalanfar, Maryam Bozorgzadeh, Hamid Reza

Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer

صفحه 202 - 216   دوره 2    شماره 2
Tabrizchi, Mahmoud Abyar, Fateme Azad, Hajar Mirian, Maryam Farrokhpour, Hossein ILbeigi, Vahideh

Thermodynamic properties of polarized liquid 3He along different isentropic paths

صفحه 217 - 228   دوره 2    شماره 2
Bordbar, Gholam Hossein Hosseini, S.

Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study

صفحه 229 - 243   دوره 2    شماره 2
Farrokhnia, Maryam Pakiari, Ali Haidar

Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations

صفحه 244 - 251   دوره 2    شماره 2
AGDA, Fatima TALEB, Mostapha ABRAM, Tayeb Bouachrine, Mohammed

Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature

صفحه 252 - 259   دوره 2    شماره 2
Rastkhadiv, M. A. Bordbar, Gholam Hossein

Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids

صفحه 260 - 269   دوره 2    شماره 2
Nancarrow, Paul Jalal, Razieh K. Goharshadi, Elaheh Sajjadi, Hashem

Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study

صفحه 1 - 10   دوره 2    شماره 1
Solimannejad, Mohammad Gholipour, Alireza

The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules

صفحه 11 - 20   دوره 2    شماره 1
Bouachrine, Mohammed Belghiti, Najat Nassiri Bennani, Mohammed Bouzzine, Simohamed Hamidi, Mohamed

Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study

صفحه 30 - 40   دوره 2    شماره 1
Oftadeh, Mohsen Gholamian, Marzieh Abdallah, Hassan Hadi

Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates

صفحه 21 - 29   دوره 2    شماره 1
Shrivastava, O.P. Bohre, Ashish Avasthi, Kalpana

Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center

صفحه 41 - 52   دوره 2    شماره 1
Sabzyan, Hassan Taghavi, Fariba

Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface

صفحه 53 - 67   دوره 2    شماره 1
Mousavipour, S. Hosien Ramazani, Shapour Pirhadi, Fatemeh

Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study

صفحه 68 - 75   دوره 2    شماره 1
Chahkandi, Mohammad Ashrafi, Bentolhoda Chahkandi, Behzad

Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst

صفحه 76 - 89   دوره 2    شماره 1
Habibi-Yangjeh, Aziz Poormohammadi-Ahandani, Zahra Pirhashemi, Mahsa

Thermodynamic properties of the ionized gas 3He

صفحه 90 - 95   دوره 2    شماره 1
Mashayekhizadeh, N. Bordbar, Gholam Hossein

Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL

صفحه 96 - 115   دوره 2    شماره 1
Jafari, Parisa Zafarani-Moattar, Mohammed T.

Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement

صفحه 116 - 122   دوره 2    شماره 1
Moshrefi, Reza Jafarian, Majid Mahjani, Mohamad Ghasem Neshati, Jaber

First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress

صفحه 99 - 103   دوره 1    شماره 2
Moradi, Mahmood Rostami, Mohammad

Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds?

صفحه 104 - 110   دوره 1    شماره 2
Alipour, Mojtaba

Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle

صفحه 126 - 133   دوره 1    شماره 2
Kimiagar, Salimeh

Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin

صفحه 111 - 116   دوره 1    شماره 2
Keshavarz, Fatemeh Alavianmehr, Mohammad Mehdi Yousefi, Reza

Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers

صفحه 117 - 125   دوره 1    شماره 2
Mirzaei, Masoud Eshtiagh-Hosseini, Hossein Izadyar, Mohammad Kazemi, Seyed Hasan

Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations

صفحه 134 - 141   دوره 1    شماره 2
Shahzamanian, Mohammad Ali Shoarinejad, Saeedeh

A theoretical survey on strength and characteristics of F•••F, Br•••O and Br•••Br interactions in solid phase

صفحه 142 - 151   دوره 1    شماره 2
Esrafili, Mehdi Solimannejad, Mohammad

Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration

صفحه 152 - 165   دوره 1    شماره 2
Ajloo, Davood Ghalehagababaie, Sharbanoo Mahmoodabadi, Najmeh

Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole

صفحه 175 - 184   دوره 1    شماره 2
Hosseinnejad, Tayebeh

Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics

صفحه 166 - 174   دوره 1    شماره 2
Entezari, Mohammad Ghows, Narjes

Heme Releasing from Human Hemoglobin upon Interaction with a New Synthesized Complex of 1,10-Phenanthroline-n-butyl Dithiocarbamato Pd(II) Nitrate

صفحه 185 - 196   دوره 1    شماره 2
Rahimi-Vaghar, R. Divsalar, A. Saboury*, A.A. Mansouri-Torshizi, H.

The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field

صفحه 34 - 40   دوره 1    شماره 1
Bordbar, Gholam Hossein Sadeghipour, Maryam Shahsavar, Leila

Nanofluids for Heat Transfer Enhancement – A Review

صفحه 1 - 33   دوره 1    شماره 1
Hadadian, Mahboobeh Samiee, Sara Ahmadzadeh, Hossein Goharshadi, Elaheh K.

High-Level Quantum Chemical Calculations of Ozone-Water Complexes

صفحه 41 - 51   دوره 1    شماره 1
Roohi, Hossein Ahmadepour, E.

Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments

صفحه 52 - 60   دوره 1    شماره 1
Ghanadzadeh Gilani, Ali

Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis

صفحه 61 - 68   دوره 1    شماره 1
Davatolhagh, Saeid Separdar, Leila

Gallium and Arsenic doped on (4, 4) armchair and (8, 0) zigzag models of Boron phosphide nanotubes: NMR study

صفحه 90 - 98   دوره 1    شماره 1
Rezaei Sameti, Mahdi

Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst

صفحه 69 - 80   دوره 1    شماره 1
Arsalanfar, Maryam Atashi, Hossein Mirzaei, Ali Akbar Ebrahimzadeh, Faza Mirhoseini Moghaddam, Sayed Hadi

The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs

صفحه 81 - 89   دوره 1    شماره 1
Ebrahimi, Ali Mostafavi, Najmeh Delarami, Hojat Habibi Khorassani, Mostafa Abedini, Somaye

Influence of Nanoscopic Micellar Confinements and Rotational Dynamics of Anticancer Drug Doxorubicin

صفحه 471 - 479   دوره 11    شماره 3
Rana, Dipak Kumar

Discovery of New Inhibitors of Enoyl-ACP Reductase via Structure-Based Virtual Screening

صفحه 459 - 469   دوره 11    شماره 3
Laoud, Aicha Alirachedi, Fahima Ferkous, Fouad

An Approach to Increase the Efficiency of Uricase by Computational Mutagenesis

صفحه 481 - 491   دوره 11    شماره 3
Nelapati, Anand Kumar Meena S, Kamala

Modified Micro/Mesoporous Catalysts for Deep Oxidation of Volatile Organics: Catalytic Performance and Kinetic Study

صفحه 493 - 500   دوره 11    شماره 3
Parsafard, Nastaran Peyrovi, Mohammad Hassan Valipour Shokoohi, Mehrdad

Structural, Optical, and Luminescence Studies of Sm2O3-Doped Cd2Sr(PO4)2 Nanopowder

صفحه 501 - 510   دوره 11    شماره 3
Rao, K. Srinivasa Y, Nirmal Rajeev K, Venkatarao Cole, Sandhya

A DFT Study of Hydrogen Adsorption on Metallic Platinum: Associative or Dissociative Adsorption

صفحه 527 - 536   دوره 11    شماره 3
Nakhaei Pour, Ali Farzaneh, Laleh

Reactivity of Isothiasole with Dibromine and Sulfuryl Chloride

صفحه 511 - 525   دوره 11    شماره 3
El Karni, El Hassan EL Ouafy, Tarik Oubenali, Mustapha Zakaria, Jalil Echajia, Malika Mohamed, Mbarki

DFT Study on the Carcinogenicity of some Common Polycyclic Aromatic Hydrocarbons (PAH)

صفحه 537 - 548   دوره 11    شماره 3
Barukial, Pratyashee Bezbaruah, Mrinal Jyoti Upadhyaya, Madhab Bezbaruah, Bipul Ali, Ibrahim Ahmed, Benzir Kalita, Hirak Jyoti Deka, Partha Pratim

Ion Pair [NaCMC-CAPB] Complex Formed via Interaction of Carboxymethylcellulose Sodium Salt (NaCMC) with Cocamidopropyl Betaine (CAPB)

صفحه 549 - 558   دوره 11    شماره 3
Brahim, Bouras Kouider, Medjahed Nassiba, Benzemra Lahcene, Tennouga Abdelkader, Hocini

The Effect of Sr-Doping on Structural, Optical, Catalytic, and Photocatalytic Properties of α-MnO2 Nanowires Synthesized via a Hydrothermal Route

صفحه 559 - 574   دوره 11    شماره 3
Mammeri, Sabah Touahri, Souad Boudine, Boubekeur Halimi, Ouahiba Sebais, Miloud Azizi, Assia Soltani, Toufik Mohamed

Synthesis of ZnS Nanoparticles via a Sonochemical Method: Photocatalytic Activity and Optical Properties

صفحه 575 - 587   دوره 11    شماره 3
Riazian, Mehran Yekrangisendi, Alireza

Measurement and Thermodynamic Modeling of LLE Data of Ternary System (Water + Caproic Acid + Undecan-1-ol) at 298.2 K

صفحه 615 - 622   دوره 11    شماره 3
Shekarsaraee, Sina Afraz Looyeh, Aryan

Insights into the Lignin Dissolution Mechanism of Water Content Tailored-choline Chloride (ChCl) Based Green Solvents for Biomass Pretreatment

صفحه 605 - 614   دوره 11    شماره 3
Chin, Bridgid Lai Fui Lock, Serene Sow Mun Yiin, Chung Loong Yap, Kok Liang

Combined Effects of Inclination Angle and Imposed Flow on Mixed Convective Cooling Inside a Vented Cavity Crossed by Nanofluids

صفحه 631 - 642   دوره 11    شماره 3
Bahlaoui, Ahmed Belhouideg, Soufiane Hasnaoui, Mohammed Arroub, Ismail Raji, Abdelghani

In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants

صفحه 589 - 604   دوره 11    شماره 3
Fogang, Hervet Paulain Dongmo Siddique, Farhan Elkhattabi, Souad Belaidi, S. Fouedjou, Romuald Tematio Daoui, Ossama Nour, H. Ayoub, Monisa Bakhouch, Mohamed Chtita, Samir

Monoclonal Antibodies as Potential Treatment Drugs for Nsp15 and 3CLpro Proteins

صفحه 623 - 629   دوره 11    شماره 3
Al-Mazaideh, Ghassab M. Huneif, Mohammed Ayed Ahmad, Ashfaq Helmy Faris Shalayel, Mohammed Alshammari, Shifaa O. Alakhras, Fadi Ali Shah, Syed Imran Ayyal Salman, Haya

Quantum Calculations of some Electronic and Structural Parameters for the System of Vitamin C and Different Sulfoxide Solvents

صفحه 643 - 651   دوره 11    شماره 3
Niazazari, Naser Toosi, Mohammad Reza

In Silico Analysis Predicting the Structural and Functional Effects of High-risk nsSNPs in the Human GCK Gene Associated with Gestational Diabetes

صفحه 653 - 673   دوره 11    شماره 3
Khamlich, Jihane Baggar, Asmae Kettani, Anass Safi, Amal Douiyeh, Imane Saih, Asmae

A Computational Investigation on Immunogenicity of Uricase from Aspergillus Flavus and Candida Utilis

صفحه 683 - 693   دوره 11    شماره 3
Kamala, Meena S ANAND KUMAR, NELAPATI

Solubility of Lamotrigine in Polyethylene Glycol 400 + 2-Propanol Mixtures at Different Temperatures

صفحه 675 - 682   دوره 11    شماره 3
Seyfinejad, Behrouz Jouyban, Abolghasem Sheikhi-Sovari, Atefeh Zhao, Hongkun Rahimpour, Elaheh

Thermodynamic, Kinetic, Batch Adsorption and Isotherm Models for the Adsorption of Nickel from an Artificial Solution Using Chloroxylon Swietenia Activated Carbon

صفحه 315 - 324   دوره 10    شماره 3
Kamatchi, ChinnaIyan . Arivoli, Shanmugam . Prabakaran, Rethinam .

Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite

صفحه 325 - 331   دوره 10    شماره 3
Merza, Sundus Hadi Mousa, Enaam Fadil

Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells

صفحه 301 - 313   دوره 10    شماره 3
Lghazi, Youssef Bahar, Jihane Youbi, Boubaker Bimaghra, Ytto Ouedrhiri, Abdessamad Ait Himi, Mohammed El Haimer, Chaimaa Khoukhi, Mostafa

Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents

صفحه 345 - 362   دوره 10    شماره 3
Bouachrine, Mohammed Kasmi, Rania Ouammou, Abdelkrim

Density, Refractive Index, and Electrical Conductivity of Ternary Mixtures Containing 1,3-Butanediol + Sulfolane (TMS) + Perchlorate Salts at Different Temperatures and Atmospheric Pressure

صفحه 363 - 378   دوره 10    شماره 3
Javadpour, Sirus Mohammadi, Leila Omrani, Abdollah

Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide

صفحه 333 - 344   دوره 10    شماره 3
A, Ram Kumar T, Ahilan Serdaroglu, Goncagul P, Rajkumar S, Gunasekaran S, Selvaraj M, Kesavan M, Mani S, Kumaresan

Excess Speed of Sound and Excess Molar Isentropic Compressibility in Binary Mixtures of Selected Amines in 2-Methoxy Ethanol at Various Temperatures

صفحه 379 - 390   دوره 10    شماره 3
Kolla, Narendra Tadikonda, Srinivasa Krishna Narasaiah, M Bharat, P Ramachandran, D

Modified Thymidine Derivatives as Potential Inhibitors of SARS-CoV: PASS, In Vitro Antimicrobial, Physicochemical and Molecular Docking Studies

صفحه 391 - 409   دوره 10    شماره 3
Alam, A. Rana, K. M. Dey, S. Bezbaruah, Bipul Hosen, M.A. Kawsar, S. M. A.

Deep Eutectic Solvent as a Green Solvent for Fast Analysis of the Volatile Components of Satureja Hortensis L.

صفحه 421 - 428   دوره 10    شماره 3
Piryaei, Marzieh Behroozi, Milad

Liquid-liquid Equilibrium Data of Aqueous Mixtures of Butyric Acid with 2-Methylcyclohexanol at Different Temperatures and 102.1 kPa

صفحه 411 - 420   دوره 10    شماره 3
Shemshadi, Rasoul

A Study of Some Excess Thermodynamic Properties in Binary Mixtures of Non-Aqueous Solvents at Variable Temperatures

صفحه 439 - 453   دوره 10    شماره 3
Pathania, Vivek Sharma, Shrutila Gill, Dip Singh Vermani, B. K.

Computational Study of the Correlation of in-vitro Antiviral Activities Against SARS-CoV-2 with Different Theoretical Descriptors

صفحه 429 - 438   دوره 10    شماره 3
Sierraalta, Anibal SalazarCoronel, Fabiana María Diaz Donis, Miguel Alejandro Coll, David Santiago Zambrano Rouvier, Jose Luis

The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules

صفحه 173 - 177   دوره 10    شماره 2
Abolhassanzadeh Parizi, Mahboubeh Peyrovi, Mohammad Hassan

Synthesized of Novel Imidazole-derived Schiff Base as a Corrosion Inhibitor of Carbon Steel in Acidic Medium Supported by Electrochemical and DFT Studies

صفحه 179 - 194   دوره 10    شماره 2
Al-Najjar, Sajjad S. Al-Baitai, Asmaa Y.

Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study

صفحه 195 - 209   دوره 10    شماره 2
Matin, Mohammed Mahbubul Kumer, Ajoy Rahman, Md. Rezaur Rahman, Mohammad Atiqur Chakma, Unesco

Measuring Interfacial Tension Between Oil and Nano-Saline Solutions in the Presence of SiO2 or TiO2 at Low and Intermediate Pressures

صفحه 163 - 171   دوره 10    شماره 2
Ghasemi, Mohammad Noor Heidari, Samira Vakili-Nezhaad, Gholam Reza Ramezanzadeh, Shiva Esmaelizadeh, Freidoon

Density Functional Theory Study of the Reaction Behavior Histidine Modified Polyamidoamine Dendrimer as Nanocarrier for Delivery of Ectoine Drug

صفحه 225 - 236   دوره 10    شماره 2
Madadi Mahani, Nosrat Mostaghni, Fatemeh Shafiekhani, Homa

An Exploration of the Antiproliferative Potential of Chalcones and Dihydropyrazole Derivatives in Prostate Cancer via Androgen Receptor: Combined QSAR, Machine Learning, and Molecular Docking Techniques

صفحه 211 - 223   دوره 10    شماره 2
Oyeneyin, Oluwatoba Emmanuel Obadawo, Babatunde Samuel Owolabi, Taoreed Olakunle Ipinloju, Nureni Olusayo, Olubosede Metibemu, Damilohun Samuel Olanrewaju, Adesoji Alani Orimoloye, Segun Michael

Kinetic Analysis of Hydrolytic Decomposition of Rubrocurcumin Analogues

صفحه 251 - 265   دوره 10    شماره 2
John, Jeena Nair, Balachandrn Sreedharan Rugmini, Sudha Devi

Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation

صفحه 237 - 249   دوره 10    شماره 2
Aanouz, Ilham Ajana, Mohammed Aziz Bouachrine, Mohammed El Khatabi, Khalil El-mernissi, Reda Lakhlifi, Tahar Shahinozzaman, Md

Structural and Morphological Studies on Strontium Tin Phosphate SrSn(PO4)2 Nanopowder

صفحه 267 - 271   دوره 10    شماره 2
Naveen Kumar, B.V. Bhushan Kumar, L. Cole, Sandhya Nirmal Rajeev, Y K, Venkatarao

An Inhibitory Kinetic Method for the Methionine Determination

صفحه 283 - 292   دوره 10    شماره 2
Srivastava, Krishna Srivastava, Abhishek

Structural, Morphological, and Optical Studies of ZnS-MoS2 Nanocomposite via Hydrothermal Route

صفحه 293 - 300   دوره 10    شماره 2
Venkatarao, K. Sreedevi, G. Nirmal Rajeev, Y. Colea, S.

Interfacial Synthesis of Polyaniline-(Ag-Au) Alloy Nanocomposite

صفحه 273 - 281   دوره 10    شماره 2
Bedre, Mahesh M.D. Deshpande, Raghunandan Lagashetty, Arunkumar Malashetty, Vijayakumar S, Basavaraja Ganiger, Sangappa K

Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells

صفحه 23 - 30   دوره 10    شماره 1
Aboulouard, Abdelkhalk

Voltammetric and Spectroscopic Studies of Memantine Hydrochloride and its Transition Metal Complexes

صفحه 13 - 21   دوره 10    شماره 1
Dey, Ranjan Natekar, Amrita

On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State

صفحه 45 - 56   دوره 10    شماره 1
Pakravesh, Arash Zarei, Hosseinali

Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors

صفحه 31 - 44   دوره 10    شماره 1
Ansari, Fatemeh Niazi, Ali Ghasemi, Jahan Yazdanipour, Atisa

The Effects of Silicon Oxide on the Structure, Physical Chemistry Properties, and Bioactivity of Phosphate Glasses Containing Sodium, Strontium, and Titanium Oxides

صفحه 1 - 12   دوره 10    شماره 1
Saida, Krimi Hassane, Oudadesse Ibtissam, El Abdouni

The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study

صفحه 89 - 104   دوره 10    شماره 1
Khani, H. Rezaei Sameti, Mahdi

Optimization of the Oxidative Desulfurization Process of Light Cycle Oil with NiMo/γ Al2O3 Catalyst

صفحه 57 - 67   دوره 10    شماره 1
Ghalami, Bahram Beshkoofeh, Sara Shahidian, Zahra

Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin

صفحه 69 - 87   دوره 10    شماره 1
Hadjer, Nouioua Tahar, Abbaz Didier, Villemin Brahim, Harkati Abdelkrim, Gouasmia

Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study

صفحه 127 - 141   دوره 10    شماره 1
Bezbaruah, Mrinal Jyoti Barukial, Pratyashee Ali, Ibrahim Ahmed, Benzir Bezbaruah, Bipul

Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties

صفحه 143 - 150   دوره 10    شماره 1
Bouras, Brahim Merad Boudia, Sanaa Benabadji, Kamel Ismet

Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study

صفحه 105 - 125   دوره 10    شماره 1
Touhami, Moufida Yahia Cherif, Fatima Chouaih, Abdelkader Benhalima, Nadia Khelfaoui, Friha

Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum)

صفحه 151 - 162   دوره 10    شماره 1
Olajide, Monsurat Adegboyega, Samuel Adewale Adedotun, Ibrahim Olaide Abdul-Hammed, Misbaudeen Adepoju, Adewusi John

Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium

صفحه 553 - 564   دوره 9    شماره 4
Jaf, Zainab N. Khaleel, Imad H. Miran, Hussein A. Alkhafaji, Abdulkareem A.

Viscometric Properties of Binary Mixtures of 1,4-Butanediol + Cresols at Different Temperatures

صفحه 579 - 590   دوره 9    شماره 4
Jaddu, SRINIVASs DEY, RANJAN Kolla, Narendra Ch, Kavitha

Synthesis, PASS, In Silico ADMET and Thermodynamic Studies of Some Galactopyranoside Esters

صفحه 591 - 603   دوره 9    شماره 4
Rahman, Md. Rezaur Matin, Mohammed Mahbubul Hanee, Umme

Removal of Congo Red from Aqueous Solution Using Cuttlefish Bone Powder

صفحه 565 - 577   دوره 9    شماره 4
Achour, Youness El Himri, Mamoune El Haddad, Mohammadine Yazid, Hicham El Kassimi, Aziz Nadir, Imane Laamari, My Rachid

The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study

صفحه 623 - 636   دوره 9    شماره 4
Fatemi, Elham Sadat Solimannejad, Mohammad

Comparative Study of Adsorption of Safranin o by TiO2/Activated Carbon and Chitosan/TiO2/Activated Carbon Adsorbents

صفحه 605 - 621   دوره 9    شماره 4
Farrokhnia, Abdolhadi Ghasemian, Ensieh Sharafinia, Soheila

Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform

صفحه 651 - 659   دوره 9    شماره 4
Setoodeh, Narjes Ameri, Abolhasan

Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene

صفحه 637 - 649   دوره 9    شماره 4
Mousazadeh, Mohammad Hassan Jamali, Neda Ramezani, Nima

Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase

صفحه 673 - 688   دوره 9    شماره 4
Barukial, Pratyashee Bezbaruah, Mrinal Jyoti Ahmed, Benzir Bezbaruah, Bipul Ali, Ibrahim

Predicting the Surface Tension of Refrigerants from Density Gradient Theory and Perturbed Hard-sphere Equation of State

صفحه 661 - 671   دوره 9    شماره 4
Sadeghi, M. Hosseini, S. Mostafa Zarei, T.

A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data

صفحه 689 - 700   دوره 9    شماره 4
Hasseine, Abedelmalek Selloum, Djamel Bacha, Oussama Baka, Ouidad Korichi, Mourad Henni, Abdellah

DFT Studies on Molecular Structure, Absorption properties, NBO Analysis, and Hirshfeld Surface Analysis of Iron(III) Porphyrin Complex

صفحه 701 - 713   دوره 9    شماره 4
Azaid, Ahmed Bourass, Mohammed Ben Haj Hassen, Laila Dhifaoui, Salma Nasri, Habib Bouachrine, Mohammed

Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction

صفحه 361 - 371   دوره 9    شماره 3
Kimi, Melody

Structural Properties of Human Chorionic Gonadotropin (hCG) Affected by Ultrasonic Irradiation: An in Vitro Study

صفحه 467 - 482   دوره 9    شماره 3
Hekmat, Azadeh Gheisari, Atieh Divsalar, Adeleh

Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study

صفحه 373 - 384   دوره 9    شماره 3
Bouhara, Safia Hammoutène, Dalila

Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies

صفحه 427 - 446   دوره 9    شماره 3
Mohammad-Aghaie, Delara Yousefi, Reza Soltani Rad, Navid Ashrafi, Abolfazl Alavianmehr, Mohamad Mehdi Golbon Haghighi, Mohsen Moosavi-Movahedi, Ali Akbar

Extraction, Characterization and Methyl Orange Sequestration Capacity of Cellulose Nanocrystals Derived from Sugarcane Bagasse: Experimental and Regression Modelling

صفحه 447 - 465   دوره 9    شماره 3
Adejumo, Ayoade Adebisi, Segun A Busari, Hassan Azeez, Luqman Oyedeji, Abdulrasaq

Photoactivity Performance of TiO2/cellulose and ZnO/polystyrene; Intensified Effect of Oxidants on Degradation Efficiency of Acetaminophen

صفحه 413 - 426   دوره 9    شماره 3
Hakimi, Sarra Ben Mansour, Hédi Rouibah, Ikram Khellaf, Nabila Assadi, Ayman Amine

Pharmacokinetics and Molecular Docking Studies of Uridine Derivatives as SARS-COV-2 Mpro Inhibitors

صفحه 385 - 412   دوره 9    شماره 3
Hosen, M.A. Alam, A. Rana, K. M. Fujii, Y. Maowa, J. Ozeki, Y. Kawsar, S. M. A.

Phase Equilibria of PEG/Sulfate Salt Aqueous Two-Phase Systems: Effects of pH and Molecular Weight of Polymer

صفحه 345 - 360   دوره 9    شماره 3
Heidari, Zahra Arzideh, Seyyed Mohammad Khoiroh, Ianatul Abbasi Fashami, Nahid Pirdashti, Mohsen Shabani, Shakiba

Functionalized Banana Stalk for Lumefantrine Drug Removal

صفحه 483 - 507   دوره 9    شماره 3
Akanji, Samuel Babarinde Bello, Olugbenga S Agboola, Oluwatobi Samuel

Molecular Dynamics Simulation of Phosphorus Trichloride (PCl3) and Phosphorus Triiodide (PI3) Liquids by Using the Force-fields Derived from a Quantum Chemical Approach

صفحه 509 - 523   دوره 9    شماره 3
Moghadam*, Homa Shafaghat-Lonbar, Mojgan Ghalami-Choobar*, Bahram

The Influence of 6-Shogaol, a Therapeutic Agent of Zingiber Officinale, on the Interaction of Ciprofloxacin with Bovine Serum Albumin

صفحه 525 - 538   دوره 9    شماره 3
Bahramian-Nasab, Mohaddeseh Mohseni-Shahri, Fatemeh

Photocatalytic Degradation of Ethylbenzene in Aqueous Solutions by ZnFe2O4 Nanoparticles Supported on the Copper Slag: Optimization, Kinetics and Thermodynamics Studies

صفحه 539 - 552   دوره 9    شماره 3
Mahanpoor, Kazem Malekhossini, Hossein

Measurement, Correlation and Prediction of LLE Data for the Ternary System Water + Lactic Acid + Diethyl Ether at 293.2 K

صفحه 181 - 192   دوره 9    شماره 2
Shekarsaraee, Sina Naimi, Abbas Bussary, Bahareh

Application of Agricultural Wastes as a Low-cost Adsorbent for Removal of Heavy Metals and Dyes from Wastewater: A Review Study

صفحه 211 - 226   دوره 9    شماره 2
Farhadi, Arezoo Tamjidi, Sajad Ameri, Abolhasan

Removal of Antibiotic Sulfamethazine from Aqueous Media

صفحه 165 - 180   دوره 9    شماره 2
El Kassimi, Aziz El Himri, Mamoune Laamari, My Rachid El Haddad, Mohammadine Nadir, Imane Achour, Youness

A Facile Protocol for Designing the CdS/PbS Multi Layered Quantum Dots with Enhanced Photoelectrochemical Performance

صفحه 227 - 239   دوره 9    شماره 2
Sadeghi, Sana Jafarian, Majid Ferdowsi, Ghodsiyeh Sadat

Structural, Spectroscopic (UV-Vis and IR), Electronic and Chemical Reactivity Studies of (3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone

صفحه 193 - 209   دوره 9    شماره 2
Adole, Vishnu A Sadgir, Nutan V Jagdale, Bapu S Dhonnar, Sunil L.

Triton™ X-100 Behaves Similarly to Tyrosine-Containing and Tryptophan-Free Proteins in UV-Vis Spectroscopy

صفحه 253 - 260   دوره 9    شماره 2
Nedaei, Hadi Saboury, Ali Akbar

How Co-Precipitation Reaction Parameters Control the Characteristics and Features of Iron Oxide Nanoparticles

صفحه 241 - 252   دوره 9    شماره 2
Nejabat, Sina Ranaei Siadat, Seyed Omid Mirzajani, Fateme Tahmasian, Zepiur Fatemi, Fataneh Hosseinkhani, Saman Abedi, Mohammadreza

A Comprehensive Study on Synthesis Parameters of TiO2 Nanotube Arrays: The Effects on Morphology and Photocatalytic Degradation of Para-NitroPhenol

صفحه 261 - 279   دوره 9    شماره 2
Rahimpour, Neshat Mollavali, Majid Rashidi, Fariborz

ZnO-MgFe2O4/(Mg)- or (Zn)-Al-LDH Composites: Adsorption Efficiency, Kinetics, and Adsorption Isotherm for Congo Red Removal

صفحه 311 - 325   دوره 9    شماره 2
Movadedi, Maryam Yarahmadi, Pegah Salavti, Hossein

Surface Modification of BiVO4 Using (3-Aminopropyl) Triethoxysilane and Study of the Photocatalytic Properties and Process Optimization

صفحه 281 - 299   دوره 9    شماره 2
Mostajabi Gonabad, Ali Naser, Iraj Pahlavan Zadeh, Hassan Fazaeli, Reza

Relaxation Processes in a Dimethylimidazolium Chloride-methanol System

صفحه 301 - 310   دوره 9    شماره 2
Atamas, N. Bakumenko, M. Gavryushenko, D. Yablochkova, K. Lazarenko, Maxim

Using Iron-copper Nanocomposites Prepared by Peanut Vine Extracts for the Removal of Pefloxacin and Enrofloxacin from an Aqueous Solution: Isotherms, Kinetics, and Mechanism

صفحه 327 - 344   دوره 9    شماره 2
Niu, Yuanyuan Liang, Zhengzhou University Chen, Junying Han, Xiuli Chang, Chun
دانشگاه شهید بهشتی
Anonymous peer review
فارسی - Persian
داوری یک سو ناشناس