تعداد مقالات: 688

Dual-Functional ZrO2/NiO Nanocomposite: Congo Red Adsorption and Dopamine Electrochemical Detection

صفحه 425 - 448   دوره 14    شماره 3

Exploring Ginger’s Bioactive Molecules as Multi-Functional Inhibitors of COVID-19 Through Computational Approaches

صفحه 265 - 278   دوره 14    شماره 2

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

صفحه 239 - 249   دوره 14    شماره 2

Investigating the Optoelectronic Properties of Hafnium-Doped CeO2at Applied Hydrostatic Pressures: DFT+U Approach

صفحه 251 - 263   دوره 14    شماره 2

Molecular Dynamics Study of Stability and Melting Transition in MgFe2O4Using Universal Deep Learning Potentials

صفحه 279 - 287   دوره 14    شماره 2

Computational Design of Novel D-π-A-π-A Organic Sensitizers for DSSCs: Unveiling the Effect of Auxiliary Acceptor Groups

صفحه 289 - 314   دوره 14    شماره 2

Theoretical Study for the Deprotonation of 5,6-Substituted Uracil‑carboxylic Acid Isomers and their Adenine base Pair by Energy Decomposition Analysis and the Properties of Silver Ion on the Deprotonation

صفحه 315 - 330   دوره 14    شماره 2

EstimationofVapor-LiquidEquilibriumData,RelativeVolatility,ExcessProperties,andThermodynamicModelingforγ-Valerolactone(GVL)andLevulinicAcid(LA)BinarySystem

صفحه 397 - 406   دوره 14    شماره 2

Theoretical Study of the Electronic Transport in Molecular Junctions of Benzene, Formamide, and Single-Walled Carbon Nanotubes Using DFT-NEGF Method

صفحه 331 - 343   دوره 14    شماره 2

Integrated Computational Approach to Develop Potent PLK4 Inhibitors Based on Pyrazolo[3,4-D]Pyrimidine Derivatives

صفحه 345 - 364   دوره 14    شماره 2

Influence of Structural Modifications on Chalcogen-Bond Strength in Dithieno[3,2-b;2′,3′-d]thiophene Derivatives as Synthetic Ion Transporters

صفحه 383 - 396   دوره 14    شماره 2

Multi-Metal Doping of Carbon Nanotubes: A DFT Investigation into Structural, Mechanical, Electrical, Thermal, and Optical Property Modulation

صفحه 407 - 424   دوره 14    شماره 2

Nanotubes: Linking Dye Adsorption, Antioxidant Power, and Corrosion Inhibition The Trifecta of Surface Activity in Cerium-Doped Titanate

صفحه 365 - 382   دوره 14    شماره 2

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

صفحه 9 - 27   دوره 14    شماره 1

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

صفحه 29 - 42   دوره 14    شماره 1

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

صفحه 1 - 7   دوره 14    شماره 1

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

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

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

Benchmarking Density Functional Theory Methods for Proton Affinity Calculations of Amines

صفحه 61 - 70   دوره 14    شماره 1

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

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

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

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

صفحه 97 - 117   دوره 14    شماره 1

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

صفحه 173 - 194   دوره 14    شماره 1

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

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

صفحه 195 - 208   دوره 14    شماره 1

Structure-Based Design and Identification of NovelPlasmodium FalciparumFalcipain-2 Binders

صفحه 227 - 237   دوره 14    شماره 1

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

صفحه 623 - 630   دوره 13    شماره 4

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

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

صفحه 721 - 729   دوره 13    شماره 4

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

Structural, Optical and Morphological Studies of TiO2Incorporated MgZn2(PO4)2Nanophosphors by Solid-state Reaction

صفحه 755 - 766   دوره 13    شماره 4

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

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

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

صفحه 767 - 781   دوره 13    شماره 4

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

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

صفحه 669 - 676   دوره 13    شماره 4

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

Repurposing FDA-approved Drugs as AlkB Dioxygenase Inhibitors: A Computational Approach to Enhance Cancer Therapy

صفحه 731 - 742   دوره 13    شماره 4

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

صفحه 783 - 796   دوره 13    شماره 4

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

صفحه 817 - 832   دوره 13    شماره 4

Fe3O4/SBA-16-NH2Nanocomposites: Synthesis, Characterization and Applications as a Phenobarbital Drug Release Systems

صفحه 797 - 816   دوره 13    شماره 4

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

صفحه 429 - 442   دوره 13    شماره 3

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

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

صفحه 463 - 478   دوره 13    شماره 3

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

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

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

صفحه 455 - 461   دوره 13    شماره 3

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

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

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

صفحه 569 - 582   دوره 13    شماره 3

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

صفحه 479 - 509   دوره 13    شماره 3

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

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

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

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

صفحه 233 - 240   دوره 13    شماره 2

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

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

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

صفحه 255 - 270   دوره 13    شماره 2

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

صفحه 285 - 294   دوره 13    شماره 2

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

صفحه 271 - 284   دوره 13    شماره 2

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

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

صفحه 319 - 336   دوره 13    شماره 2

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

صفحه 337 - 352   دوره 13    شماره 2

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

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

صفحه 365 - 380   دوره 13    شماره 2

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

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

صفحه 381 - 400   دوره 13    شماره 2

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

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

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

Transport оf Charge Carriers in Organic Disordered Semicоnductors Based оn Polyacrylоnitrile

صفحه 31 - 36   دوره 13    شماره 1

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

صفحه 37 - 48   دوره 13    شماره 1

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

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

صفحه 77 - 85   دوره 13    شماره 1

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

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

صفحه 115 - 127   دوره 13    شماره 1

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

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

Multiphased Carbonaceous Periwinkle Shell and Styrofoam Nanocomposites For Toxic Contaminants Treatment

صفحه 129 - 138   دوره 13    شماره 1

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

صفحه 103 - 114   دوره 13    شماره 1

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

صفحه 165 - 181   دوره 13    شماره 1

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

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

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

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

صفحه 859 - 868   دوره 12    شماره 4

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

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

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

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

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

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

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

صفحه 949 - 962   دوره 12    شماره 4

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

صفحه 991 - 1004   دوره 12    شماره 4

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

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

صفحه 1005 - 1017   دوره 12    شماره 4

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

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

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

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

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

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

صفحه 1079 - 1090   دوره 12    شماره 4

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

صفحه 1111 - 1131   دوره 12    شماره 4

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

صفحه 1133 - 1145   دوره 12    شماره 4

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

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

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

Theoretical and Experimental Investigations for Identification of Anaphylactic Lymphoma Kinase inhibitors

صفحه 591 - 620   دوره 12    شماره 3

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

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

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

صفحه 579 - 589   دوره 12    شماره 3

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

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

صفحه 567 - 578   دوره 12    شماره 3

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

صفحه 621 - 630   دوره 12    شماره 3

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

صفحه 693 - 707   دوره 12    شماره 3

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

صفحه 709 - 727   دوره 12    شماره 3

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

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

صفحه 771 - 781   دوره 12    شماره 3

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

صفحه 763 - 770   دوره 12    شماره 3

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

Study of the Anticancer Potential of Cannabidiol Using Computational Methods

صفحه 783 - 800   دوره 12    شماره 3

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

صفحه 801 - 819   دوره 12    شماره 3

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

Structural and Functional Insights into Fungal Uricases: A Computational Approach

صفحه 837 - 850   دوره 12    شماره 3

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

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

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

صفحه 273 - 287   دوره 12    شماره 2

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

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

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

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

صفحه 333 - 348   دوره 12    شماره 2

Mechano-Optical Study of the Deformation of Polymer Films

صفحه 393 - 406   دوره 12    شماره 2

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

صفحه 361 - 382   دوره 12    شماره 2

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

صفحه 383 - 392   دوره 12    شماره 2

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

صفحه 407 - 417   دوره 12    شماره 2

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

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

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

صفحه 515 - 524   دوره 12    شماره 2

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

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

صفحه 483 - 504   دوره 12    شماره 2

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

صفحه 525 - 547   دوره 12    شماره 2

Kinetics of Vinyl Radical with Chlorine Molecules, A Theoretical Study

صفحه 441 - 451   دوره 12    شماره 2

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

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

صفحه 505 - 513   دوره 12    شماره 2

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

Performance and Emissions Investigation of Biodiesel Made from Neem Oil

صفحه 11 - 19   دوره 12    شماره 1

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

صفحه 73 - 84   دوره 12    شماره 1

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

صفحه 85 - 93   دوره 12    شماره 1

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

صفحه 1 - 9   دوره 12    شماره 1

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

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

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

صفحه 21 - 31   دوره 12    شماره 1

Nicotinamide Solubility in Ethanol + Acetonitrile at Different Temperatures

صفحه 33 - 45   دوره 12    شماره 1

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

صفحه 135 - 144   دوره 12    شماره 1

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

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

صفحه 109 - 119   دوره 12    شماره 1

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

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

صفحه 145 - 156   دوره 12    شماره 1

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

صفحه 175 - 187   دوره 12    شماره 1

Modified Biopolymer as Adsorbent for Methylene Blue Dye Removal

صفحه 189 - 204   دوره 12    شماره 1

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

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

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

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

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

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

صفحه 747 - 760   دوره 11    شماره 4

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

صفحه 707 - 723   دوره 11    شماره 4

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

صفحه 735 - 745   دوره 11    شماره 4

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

صفحه 725 - 734   دوره 11    شماره 4

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

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

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

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

Curcumin and Curcumin Derivatives as Green Corrosion Inhabitor-A Review

صفحه 825 - 835   دوره 11    شماره 4

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

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

صفحه 853 - 864   دوره 11    شماره 4

Adsorption of Some Gas Molecules on the Surface of Graphene Nanoflakes

صفحه 877 - 887   دوره 11    شماره 4

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

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

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

صفحه 889 - 896   دوره 11    شماره 4

Methods of Recycling Expanded Polystyrene Waste: Synthesis and Characterization

صفحه 943 - 951   دوره 11    شماره 4

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

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

صفحه 929 - 942   دوره 11    شماره 4

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

Influence of Nanoscopic Micellar Confinements and Rotational Dynamics of Anticancer Drug Doxorubicin

صفحه 471 - 479   دوره 11    شماره 3

Modified Micro/Mesoporous Catalysts for Deep Oxidation of Volatile Organics: Catalytic Performance and Kinetic Study

صفحه 493 - 500   دوره 11    شماره 3

A DFT Study of Hydrogen Adsorption on Metallic Platinum: Associative or Dissociative Adsorption

صفحه 527 - 536   دوره 11    شماره 3

An Approach to Increase the Efficiency of Uricase by Computational Mutagenesis

صفحه 481 - 491   دوره 11    شماره 3

Synthesis of ZnS Nanoparticles via a Sonochemical Method: Photocatalytic Activity and Optical Properties

صفحه 575 - 587   دوره 11    شماره 3

Discovery of New Inhibitors of Enoyl-ACP Reductase via Structure-Based Virtual Screening

صفحه 459 - 469   دوره 11    شماره 3

Structural, Optical, and Luminescence Studies of Sm2O3-Doped Cd2Sr(PO4)2 Nanopowder

صفحه 501 - 510   دوره 11    شماره 3

Reactivity of Isothiasole with Dibromine and Sulfuryl Chloride

صفحه 511 - 525   دوره 11    شماره 3

Ion Pair [NaCMC-CAPB] Complex Formed via Interaction of Carboxymethylcellulose Sodium Salt (NaCMC) with Cocamidopropyl Betaine (CAPB)

صفحه 549 - 558   دوره 11    شماره 3

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

DFT Study on the Carcinogenicity of some Common Polycyclic Aromatic Hydrocarbons (PAH)

صفحه 537 - 548   دوره 11    شماره 3

In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants

صفحه 589 - 604   دوره 11    شماره 3

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

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

Monoclonal Antibodies as Potential Treatment Drugs for Nsp15 and 3CLpro Proteins

صفحه 623 - 629   دوره 11    شماره 3

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

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

Solubility of Lamotrigine in Polyethylene Glycol 400 + 2-Propanol Mixtures at Different Temperatures

صفحه 675 - 682   دوره 11    شماره 3

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

A Computational Investigation on Immunogenicity of Uricase from Aspergillus Flavus and Candida Utilis

صفحه 683 - 693   دوره 11    شماره 3

Flocculation of Clay Suspensions Using Copolymers Based on Acrylamide and Biopolymer

صفحه 221 - 230   دوره 11    شماره 2

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

صفحه 327 - 339   دوره 11    شماره 2

Insights into the Electronic Properties of Coumarins: A Comparative Study

صفحه 267 - 286   دوره 11    شماره 2

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

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

صفحه 253 - 265   دوره 11    شماره 2

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

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

صفحه 287 - 297   دوره 11    شماره 2

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

صفحه 315 - 326   دوره 11    شماره 2

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

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

صفحه 231 - 239   دوره 11    شماره 2

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

صفحه 181 - 189   دوره 11    شماره 2

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

صفحه 299 - 313   دوره 11    شماره 2

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

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

صفحه 353 - 368   دوره 11    شماره 2

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

Photo-physical and Morphological Study of Polymers: A Review

صفحه 409 - 424   دوره 11    شماره 2

Pulsed Plasma-Chemical Synthesis of CuxOy-TiO2 Nanocomposite

صفحه 425 - 436   دوره 11    شماره 2

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

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

صفحه 449 - 458   دوره 11    شماره 2

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

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

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

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

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

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

صفحه 1 - 8   دوره 11    شماره 1

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

صفحه 91 - 101   دوره 11    شماره 1

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

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

صفحه 23 - 31   دوره 11    شماره 1

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

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

صفحه 117 - 127   دوره 11    شماره 1

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

صفحه 129 - 137   دوره 11    شماره 1

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

صفحه 139 - 147   دوره 11    شماره 1

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

صفحه 171 - 180   دوره 11    شماره 1

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

صفحه 149 - 157   دوره 11    شماره 1

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

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

صفحه 495 - 504   دوره 10    شماره 4

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

صفحه 485 - 494   دوره 10    شماره 4

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

صفحه 473 - 483   دوره 10    شماره 4

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

صفحه 461 - 471   دوره 10    شماره 4

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

صفحه 455 - 460   دوره 10    شماره 4

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

صفحه 505 - 518   دوره 10    شماره 4

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

صفحه 559 - 570   دوره 10    شماره 4

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

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

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

صفحه 537 - 547   دوره 10    شماره 4

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

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

صفحه 549 - 557   دوره 10    شماره 4

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

Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite

صفحه 325 - 331   دوره 10    شماره 3

Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide

صفحه 333 - 344   دوره 10    شماره 3

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

Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents

صفحه 345 - 362   دوره 10    شماره 3

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

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

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

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

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

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

A Study of Some Excess Thermodynamic Properties in Binary Mixtures of Non-Aqueous Solvents at Variable Temperatures

صفحه 439 - 453   دوره 10    شماره 3

The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules

صفحه 173 - 177   دوره 10    شماره 2

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

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

Structural and Morphological Studies on Strontium Tin Phosphate SrSn(PO4)2 Nanopowder

صفحه 267 - 271   دوره 10    شماره 2

Kinetic Analysis of Hydrolytic Decomposition of Rubrocurcumin Analogues

صفحه 251 - 265   دوره 10    شماره 2

An Inhibitory Kinetic Method for the Methionine Determination

صفحه 283 - 292   دوره 10    شماره 2

Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation

صفحه 237 - 249   دوره 10    شماره 2

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

Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study

صفحه 195 - 209   دوره 10    شماره 2

Interfacial Synthesis of Polyaniline-(Ag-Au) Alloy Nanocomposite

صفحه 273 - 281   دوره 10    شماره 2

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

Structural, Morphological, and Optical Studies of ZnS-MoS2 Nanocomposite via Hydrothermal Route

صفحه 293 - 300   دوره 10    شماره 2

Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells

صفحه 23 - 30   دوره 10    شماره 1

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

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

Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties

صفحه 143 - 150   دوره 10    شماره 1

Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors

صفحه 31 - 44   دوره 10    شماره 1

Voltammetric and Spectroscopic Studies of Memantine Hydrochloride and its Transition Metal Complexes

صفحه 13 - 21   دوره 10    شماره 1

On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State

صفحه 45 - 56   دوره 10    شماره 1

Optimization of the Oxidative Desulfurization Process of Light Cycle Oil with NiMo/γ Al2O3 Catalyst

صفحه 57 - 67   دوره 10    شماره 1

Theoretical Investigation on Inclusion Complex of (s)-2-Isopropyl-1-(o-nitrophenyl) Sulfonyl) Aziridine with β-Cyclodextrin

صفحه 69 - 87   دوره 10    شماره 1

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

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

Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum)

صفحه 151 - 162   دوره 10    شماره 1

Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium

صفحه 553 - 564   دوره 9    شماره 4

Removal of Congo Red from Aqueous Solution Using Cuttlefish Bone Powder

صفحه 565 - 577   دوره 9    شماره 4

Viscometric Properties of Binary Mixtures of 1,4-Butanediol + Cresols at Different Temperatures

صفحه 579 - 590   دوره 9    شماره 4

Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene

صفحه 637 - 649   دوره 9    شماره 4

Synthesis, PASS, In Silico ADMET and Thermodynamic Studies of Some Galactopyranoside Esters

صفحه 591 - 603   دوره 9    شماره 4

Comparative Study of Adsorption of Safranin o by TiO2/Activated Carbon and Chitosan/TiO2/Activated Carbon Adsorbents

صفحه 605 - 621   دوره 9    شماره 4

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

Predicting the Surface Tension of Refrigerants from Density Gradient Theory and Perturbed Hard-sphere Equation of State

صفحه 661 - 671   دوره 9    شماره 4

Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform

صفحه 651 - 659   دوره 9    شماره 4

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

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

A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data

صفحه 689 - 700   دوره 9    شماره 4

Photoactivity Performance of TiO2/cellulose and ZnO/polystyrene; Intensified Effect of Oxidants on Degradation Efficiency of Acetaminophen

صفحه 413 - 426   دوره 9    شماره 3

Pharmacokinetics and Molecular Docking Studies of Uridine Derivatives as SARS-COV-2 Mpro Inhibitors

صفحه 385 - 412   دوره 9    شماره 3

Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction

صفحه 361 - 371   دوره 9    شماره 3

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

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

Structural Properties of Human Chorionic Gonadotropin (hCG) Affected by Ultrasonic Irradiation: An in Vitro Study

صفحه 467 - 482   دوره 9    شماره 3

Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study

صفحه 373 - 384   دوره 9    شماره 3

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

Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies

صفحه 427 - 446   دوره 9    شماره 3

Functionalized Banana Stalk for Lumefantrine Drug Removal

صفحه 483 - 507   دوره 9    شماره 3

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

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

A Facile Protocol for Designing the CdS/PbS Multi Layered Quantum Dots with Enhanced Photoelectrochemical Performance

صفحه 227 - 239   دوره 9    شماره 2

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

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

Surface Modification of BiVO4 Using (3-Aminopropyl) Triethoxysilane and Study of the Photocatalytic Properties and Process Optimization

صفحه 281 - 299   دوره 9    شماره 2

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

Removal of Antibiotic Sulfamethazine from Aqueous Media

صفحه 165 - 180   دوره 9    شماره 2

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

Relaxation Processes in a Dimethylimidazolium Chloride-methanol System

صفحه 301 - 310   دوره 9    شماره 2

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

Triton™ X-100 Behaves Similarly to Tyrosine-Containing and Tryptophan-Free Proteins in UV-Vis Spectroscopy

صفحه 253 - 260   دوره 9    شماره 2

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

How Co-Precipitation Reaction Parameters Control the Characteristics and Features of Iron Oxide Nanoparticles

صفحه 241 - 252   دوره 9    شماره 2

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

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

صفحه 57 - 68   دوره 9    شماره 1

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

صفحه 17 - 30   دوره 9    شماره 1

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

صفحه 43 - 55   دوره 9    شماره 1

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

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

صفحه 69 - 83   دوره 9    شماره 1

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

صفحه 123 - 135   دوره 9    شماره 1

Detection of Cyanogen Halides by B36 Nanocluster: DFT Study

صفحه 107 - 121   دوره 9    شماره 1

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

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

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

صفحه 137 - 149   دوره 9    شماره 1

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

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

Catalytic Behavior of Co/Al2O3 Nanocatalyst under External Magnetic Field

صفحه 645 - 656   دوره 8    شماره 4

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

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

صفحه 689 - 703   دوره 8    شماره 4

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

صفحه 705 - 718   دوره 8    شماره 4

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

صفحه 629 - 644   دوره 8    شماره 4

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

Computational Study of the Precursor Spectroelectrochemistry of Guanine

صفحه 719 - 735   دوره 8    شماره 4

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

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

صفحه 767 - 787   دوره 8    شماره 4

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

صفحه 755 - 765   دوره 8    شماره 4

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

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

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

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

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

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

صفحه 417 - 427   دوره 8    شماره 3

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

صفحه 471 - 496   دوره 8    شماره 3

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

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

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

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

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

Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters

صفحه 557 - 568   دوره 8    شماره 3

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

صفحه 215 - 223   دوره 8    شماره 2

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

صفحه 225 - 240   دوره 8    شماره 2

Silver Nanoparticle Trypsin Corona Formation and the Impacts on Enzymatic Potency

صفحه 241 - 250   دوره 8    شماره 2

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

صفحه 203 - 213   دوره 8    شماره 2

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

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

صفحه 267 - 280   دوره 8    شماره 2

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

صفحه 297 - 311   دوره 8    شماره 2

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

صفحه 281 - 295   دوره 8    شماره 2

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

صفحه 355 - 364   دوره 8    شماره 2

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

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

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

صفحه 365 - 372   دوره 8    شماره 2

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

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

صفحه 19 - 30   دوره 8    شماره 1

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

صفحه 45 - 59   دوره 8    شماره 1

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

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

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

صفحه 91 - 110   دوره 8    شماره 1

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

صفحه 125 - 137   دوره 8    شماره 1

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

صفحه 167 - 173   دوره 8    شماره 1

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

صفحه 111 - 124   دوره 8    شماره 1

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

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

صفحه 155 - 165   دوره 8    شماره 1

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

صفحه 139 - 154   دوره 8    شماره 1

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

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

صفحه 731 - 749   دوره 7    شماره 4

Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin

صفحه 751 - 764   دوره 7    شماره 4

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

صفحه 785 - 797   دوره 7    شماره 4

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

صفحه 775 - 783   دوره 7    شماره 4

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

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

صفحه 799 - 812   دوره 7    شماره 4

Chemical Capture of CO2 by Glycine Salt Solution

صفحه 765 - 774   دوره 7    شماره 4

Nano Particle CORONA Formation; Rather than Proteins

صفحه 849 - 857   دوره 7    شماره 4

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

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

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

صفحه 837 - 848   دوره 7    شماره 4

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

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

صفحه 475 - 490   دوره 7    شماره 3

An Improved ISM Equation of State for Polar Fluids

صفحه 467 - 474   دوره 7    شماره 3

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

صفحه 491 - 498   دوره 7    شماره 3

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

صفحه 499 - 510   دوره 7    شماره 3

Novel N-heterocyclic Stannylenes (NHSns) Using DFT

صفحه 511 - 521   دوره 7    شماره 3

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

صفحه 535 - 545   دوره 7    شماره 3

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

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

صفحه 701 - 713   دوره 7    شماره 3

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

صفحه 681 - 699   دوره 7    شماره 3

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

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

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

صفحه 245 - 259   دوره 7    شماره 2

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

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

صفحه 365 - 374   دوره 7    شماره 2

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

صفحه 261 - 270   دوره 7    شماره 2

Fe Lauded TiO2 Nanoparticles Synthesized by Sol-gel Precursors

صفحه 395 - 401   دوره 7    شماره 2

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

صفحه 295 - 307   دوره 7    شماره 2

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

صفحه 271 - 293   دوره 7    شماره 2

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

صفحه 309 - 325   دوره 7    شماره 2

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

صفحه 375 - 394   دوره 7    شماره 2

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

صفحه 327 - 346   دوره 7    شماره 2

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

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

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

صفحه 435 - 447   دوره 7    شماره 2

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

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

صفحه 415 - 424   دوره 7    شماره 2

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

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

صفحه 53 - 64   دوره 7    شماره 1

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

صفحه 167 - 180   دوره 7    شماره 1

Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity

صفحه 27 - 36   دوره 7    شماره 1

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

صفحه 1 - 9   دوره 7    شماره 1

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

صفحه 95 - 109   دوره 7    شماره 1

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

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

صفحه 37 - 52   دوره 7    شماره 1

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

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

صفحه 111 - 130   دوره 7    شماره 1

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

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

صفحه 81 - 94   دوره 7    شماره 1

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

صفحه 181 - 200   دوره 7    شماره 1

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

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

صفحه 201 - 215   دوره 7    شماره 1

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

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

صفحه 721 - 728   دوره 6    شماره 4

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

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

صفحه 713 - 720   دوره 6    شماره 4

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

صفحه 729 - 740   دوره 6    شماره 4

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

صفحه 805 - 814   دوره 6    شماره 4

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

Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA

صفحه 825 - 838   دوره 6    شماره 4

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

صفحه 785 - 794   دوره 6    شماره 4

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

صفحه 773 - 784   دوره 6    شماره 4

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

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

صفحه 759 - 771   دوره 6    شماره 4

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

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

صفحه 857 - 869   دوره 6    شماره 4

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

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

صفحه 493 - 504   دوره 6    شماره 3

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

صفحه 531 - 546   دوره 6    شماره 3

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

صفحه 505 - 519   دوره 6    شماره 3

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

صفحه 547 - 563   دوره 6    شماره 3

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

صفحه 463 - 478   دوره 6    شماره 3

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

صفحه 565 - 581   دوره 6    شماره 3

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

صفحه 627 - 638   دوره 6    شماره 3

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

صفحه 583 - 598   دوره 6    شماره 3

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

صفحه 599 - 612   دوره 6    شماره 3

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

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

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

صفحه 613 - 625   دوره 6    شماره 3

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

صفحه 639 - 655   دوره 6    شماره 3

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

صفحه 657 - 666   دوره 6    شماره 3

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

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

صفحه 263 - 285   دوره 6    شماره 2

Evaluation of Methyl Ester Production Using Cement as a Heterogeneous Catalyst

صفحه 323 - 333   دوره 6    شماره 2

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

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

A Simple Equation for the Thermal Conductivity of Saturated Vapor Refrigerants

صفحه 287 - 294   دوره 6    شماره 2

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

صفحه 399 - 414   دوره 6    شماره 2

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

صفحه 365 - 375   دوره 6    شماره 2

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

Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF

صفحه 309 - 321   دوره 6    شماره 2

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

صفحه 237 - 250   دوره 6    شماره 2

Solubility Parameter of Fluids from Molecular Thermodynamic Model

صفحه 295 - 307   دوره 6    شماره 2

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

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

صفحه 447 - 462   دوره 6    شماره 2

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

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

صفحه 433 - 446   دوره 6    شماره 2

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

صفحه 15 - 29   دوره 6    شماره 1

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

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

صفحه 45 - 66   دوره 6    شماره 1

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

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

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

صفحه 115 - 132   دوره 6    شماره 1

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

صفحه 1 - 14   دوره 6    شماره 1

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

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

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

A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution

صفحه 105 - 113   دوره 6    شماره 1

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

صفحه 143 - 157   دوره 6    شماره 1

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

صفحه 225 - 238   دوره 6    شماره 1

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

صفحه 193 - 207   دوره 6    شماره 1

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

صفحه 209 - 223   دوره 6    شماره 1

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

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

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

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

صفحه 681 - 689   دوره 5    شماره 4

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

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

صفحه 727 - 736   دوره 5    شماره 4

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

صفحه 691 - 707   دوره 5    شماره 4

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

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

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

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

صفحه 629 - 641   دوره 5    شماره 4

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

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

N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels

صفحه 819 - 830   دوره 5    شماره 4

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

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

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

صفحه 465 - 481   دوره 5    شماره 3

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

صفحه 505 - 518   دوره 5    شماره 3

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

صفحه 425 - 437   دوره 5    شماره 3

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

صفحه 519 - 529   دوره 5    شماره 3

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

صفحه 541 - 554   دوره 5    شماره 3

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

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

صفحه 439 - 446   دوره 5    شماره 3

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

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

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

صفحه 447 - 463   دوره 5    شماره 3

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

The Application of Hybrid RSM/ANN Methodology of an Iron-based Catalyst Performance in Fischer-Tropsch Synthesis

صفحه 585 - 600   دوره 5    شماره 3

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

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

Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)

صفحه 221 - 237   دوره 5    شماره 2

Enhanced Procedure for Fabrication of an Ultrahydrophobic Aluminum Alloy Surface using Fatty Acid Modifiers

صفحه 339 - 357   دوره 5    شماره 2

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

The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study

صفحه 309 - 315   دوره 5    شماره 2

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

Measurement of Thermophysical Properties of Pure and Mixture of Alkanolamines from 288.15-323.15 K

صفحه 269 - 279   دوره 5    شماره 2

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

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

Mentha spicata L. Extract as a Green Corrosion Inhibitor for Carbon Steel in HCl Solution

صفحه 293 - 307   دوره 5    شماره 2

Kinetic Monte Carlo Study of Biodiesel Production through Transesterification of Brassica Carinata Oil

صفحه 329 - 338   دوره 5    شماره 2

Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys

صفحه 359 - 366   دوره 5    شماره 2

Empirical Correlations and an Artificial Neural Network Approach to Estimate Saturated Vapor Pressure of Refrigerants

صفحه 281 - 292   دوره 5    شماره 2

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

Kinetic Model Study of Dry Reforming of Methane Using Cold Plasma

صفحه 395 - 408   دوره 5    شماره 2

Modulation Response and Relative Intensity Noise Spectra in Quantum Cascade Lasers

صفحه 377 - 394   دوره 5    شماره 2

Study the Interaction of Ni Complex of Tetradentate Schiff Base Ligand with HEN Egg White Lysozyme

صفحه 113 - 123   دوره 5    شماره 1

Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He

صفحه 99 - 112   دوره 5    شماره 1

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

Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach

صفحه 153 - 166   دوره 5    شماره 1

Effect of Magnetic Field on the Liquid-liquid Equilibria of (Water + Acetic Acid + Organic Solvent) Ternary Systems

صفحه 125 - 134   دوره 5    شماره 1

Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study

صفحه 135 - 152   دوره 5    شماره 1

An Improved Correlation for Second Virial Coefficients of Pure Fluids

صفحه 69 - 79   دوره 5    شماره 1

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

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

Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts

صفحه 1 - 11   دوره 5    شماره 1

New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent

صفحه 81 - 98   دوره 5    شماره 1

Surfactant Effects on Tautomeric and Microscopic Equilibria of Tryptophan: Experimental and Theoretical Studies

صفحه 25 - 39   دوره 5    شماره 1

Simultaneous Ash and Sulphur Removal from Bitumen Using Column Flotation Technique: Experiments, RSM Modeling and Optimization

صفحه 195 - 204   دوره 5    شماره 1

pH Sensitive Hydrogel Based Acrylic Acid for Controlled Drug Release

صفحه 185 - 193   دوره 5    شماره 1

Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach

صفحه 167 - 183   دوره 5    شماره 1

QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic

صفحه 519 - 530   دوره 4    شماره 4

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

DFT Study of Nitrous Oxide Adsorption on the Surface of Pt-Decorated Graphene

صفحه 619 - 626   دوره 4    شماره 4

A Theoretical Study of Nonlinear Optical Features of Alumina Nanostructures with the Groups III and VI Dopants

صفحه 627 - 641   دوره 4    شماره 4

Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions

صفحه 583 - 589   دوره 4    شماره 4

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

Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory

صفحه 607 - 617   دوره 4    شماره 4

Theoretical Study on Glycosyl Group Effect on Antioxidant Ability of Chrysin Bioflavonoid

صفحه 643 - 654   دوره 4    شماره 4

Electron Ionization of Serine and Threonine: a Discussion about Peak Intensities

صفحه 539 - 551   دوره 4    شماره 4

PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods

صفحه 655 - 662   دوره 4    شماره 4

A Computational Study on the Stability of Dapdiamide D Conformers

صفحه 567 - 581   دوره 4    شماره 4

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

HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study

صفحه 693 - 706   دوره 4    شماره 4

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

Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model

صفحه 663 - 671   دوره 4    شماره 4

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

Conductometric Analysis of some Ionic Liquids, 1-Alkyl-3-methylimidazolium Bromide with Aspirin in Acetonitrile Solutions

صفحه 355 - 368   دوره 4    شماره 3

Thermal Conductivity of Reduced Graphene Oxide by Pulse Laser in Ethylene Glycol

صفحه 407 - 415   دوره 4    شماره 3

Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression

صفحه 391 - 405   دوره 4    شماره 3

Thermal Degradation Kinetic Study of a Fuel-rich Energetic Mixture Containing Epoxy Binder

صفحه 369 - 378   دوره 4    شماره 3

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

Sensing Performance of Sc-doped B12N12 Nanocage for Detecting Toxic Cyanogen Gas: A Computational Study

صفحه 315 - 332   دوره 4    شماره 3

Calculation of Quasi-one-dimensional Interacting Electron Gas Using the Hartree-Fock Method

صفحه 441 - 449   دوره 4    شماره 3

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

Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing

صفحه 427 - 440   دوره 4    شماره 3

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

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

Phase Equilibria of the Ternary System Water + Phosphoric Acid + 1-Nonanol at Different Temperatures

صفحه 507 - 518   دوره 4    شماره 3

An Accurate Correlation to Estimate Saturated Molar Volume of Liquids

صفحه 479 - 488   دوره 4    شماره 3

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

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

Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA)

صفحه 209 - 219   دوره 4    شماره 2

Computational Study of the Mechanism, Reaction Rate and Thermochemistry of Atmospheric Oxidation of Methylamine with Singlet Oxygen

صفحه 191 - 208   دوره 4    شماره 2

Lanthania Colloidal Nanoparticles: Hydrothermal Synthesis, Structural, and Rheological Properties

صفحه 143 - 151   دوره 4    شماره 2

Spectroscopic Studies on the Interaction of Co(II) Tetrapyridinoporphyrazine with Synthetic Polynucleotides and DNA

صفحه 161 - 172   دوره 4    شماره 2

Fabrication and Characterization of Nanoporous Co Oxide (Co3O4) Prepared by Simple Sol-gel Synthesis

صفحه 153 - 160   دوره 4    شماره 2

Theoretical Investigation of the Effect of (8,0) Single-walled Carbon Nanotubes on Acidity of Aliphatic Alcohols

صفحه 173 - 181   دوره 4    شماره 2

Halogenated Graphdiyne and Graphyne Single Layers: A Systematic Study

صفحه 231 - 243   دوره 4    شماره 2

Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin

صفحه 245 - 270   دوره 4    شماره 2

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

Influence of a Novel Magnetic Recoverable Support on Kinetic, Stability and Activity of Beta-amylase Enzyme

صفحه 271 - 283   دوره 4    شماره 2

Synthesis and Characterization of LiMnPO4/Carbon Nanocomposite Material as Cathode Material

صفحه 285 - 289   دوره 4    شماره 2

A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite

صفحه 291 - 301   دوره 4    شماره 2

A Computational Study on the Configurational Behaviors of Dihalodiazenes and their Analogues Containing P and As Atoms

صفحه 303 - 313   دوره 4    شماره 2

Quantitative Modeling for Prediction of Critical Temperature of Refrigerant Compounds

صفحه 61 - 71   دوره 4    شماره 1

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

A Theoretical Study on the Structure-Radical Scavenging Activity of Some Hydroxyphenols

صفحه 73 - 82   دوره 4    شماره 1

The Nature of Halogen Bonds in [N∙∙∙X∙∙∙N]+ Complexes: A Theoretical Study

صفحه 1 - 15   دوره 4    شماره 1

A Study on the Aggregation and Calf Thymus DNA Binding Characteristics of Anionic Cobalt(II) Tetrasulfonated Phthalocyanine

صفحه 83 - 94   دوره 4    شماره 1

Liquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State

صفحه 17 - 33   دوره 4    شماره 1

Optical Properties of Some Oligothiophene Derivatives: DFT Study

صفحه 35 - 46   دوره 4    شماره 1

Microsolvation of NO2+ in Helium: An Ab Initio Study on NO2+-Hen Clusters (n ≤ 7)

صفحه 109 - 117   دوره 4    شماره 1

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

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

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

Fabrication and Characterization of Rutile TiO2 Nanocrystals by Water Soluble Precursor

صفحه 293 - 298   دوره 3    شماره 4

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

صفحه 299 - 304   دوره 3    شماره 4

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

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

صفحه 305 - 318   دوره 3    شماره 4

Biological Applications of Isothermal Titration Calorimetry

صفحه 319 - 330   دوره 3    شماره 4

A Hard Convex Core Yukawa Equation of State for Nonassociated Chain Molecules

صفحه 347 - 360   دوره 3    شماره 4

How to Change the Redox Potential of Guanine?

صفحه 341 - 346   دوره 3    شماره 4

An Efficient Method for Correlation of Vapor Pressure of Gaseous Compounds Containing C-H-O

صفحه 279 - 291   دوره 3    شماره 4

The Effect of Coinage Transition Metal (Cu, Ag, Au) Substitutions on Two-electron Redox Potential of Quinones

صفحه 179 - 189   دوره 3    شماره 3

Synthesis and Characterization of α-Fe2O3 Nanoparticles by Simple Co-Precipitation Method

صفحه 191 - 196   دوره 3    شماره 3

Non-Isothermal Degradation Kinetics of High Energy Protons Irradiated Polyvinyl Butyral

صفحه 217 - 228   دوره 3    شماره 3

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

Preparation, Characterization and Antibacterial Activity of Manganese Oxide Nanoparticles

صفحه 197 - 204   دوره 3    شماره 3

QSAR Studies of the Dioxins and Interaction of OCDD with Calix[4] Arene Using DFT

صفحه 247 - 264   دوره 3    شماره 3

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

Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block

صفحه 239 - 245   دوره 3    شماره 3

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

Sonochemical Green Method for Preparation of Mg-Doped ZnO Nanostructures in Water with Enhanced Photocatalytic Activity

صفحه 99 - 110   دوره 3    شماره 2

Size Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters

صفحه 89 - 98   دوره 3    شماره 2

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

An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids

صفحه 169 - 178   دوره 3    شماره 2

Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies

صفحه 125 - 143   دوره 3    شماره 2

Theoretical Investigation of Interaction between 5-Fluorouracil Anticancer Drug with Various Nitrosamine Compounds

صفحه 155 - 167   دوره 3    شماره 2

Introduction to Schramm-Loewner evolution and its application to critical systems

صفحه 1 - 15   دوره 3    شماره 1

Synthesis of Au Nanoparticles by Thermal, Sonochemical and Electrochemical Methods: Optimization and Characterization

صفحه 24 - 34   دوره 3    شماره 1

VLE Properties from ISM Equation of State: Application to Pure and Mixture

صفحه 16 - 23   دوره 3    شماره 1

An accurate General Method to Correlate Saturated Vapor Pressure of Pure Substances

صفحه 35 - 45   دوره 3    شماره 1

Solvation Force of Ellipse-Shaped Molecules Moving in One Dimension and Confined between Two Parallel Planar Walls

صفحه 58 - 66   دوره 3    شماره 1

Catalytic Decomposition of Methane and Ethylene into the Carbon and Hydrogen

صفحه 46 - 57   دوره 3    شماره 1

A Neuro-Fuzzy Algorithm for Modeling of Fischer-Tropsch Synthesis over a Bimetallic Co/Ni/Al2O3 Catalyst

صفحه 78 - 88   دوره 3    شماره 1

Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study

صفحه 67 - 77   دوره 3    شماره 1

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

A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations

صفحه 131 - 136   دوره 2    شماره 2

How the Nonextensivity Parameter Affects Energy Fluctuations

صفحه 137 - 145   دوره 2    شماره 2

Nature of Lithium Interactions with DNA Nucleobases: Theoretical Study

صفحه 229 - 243   دوره 2    شماره 2

Thermodynamic properties of polarized liquid 3He along different isentropic paths

صفحه 217 - 228   دوره 2    شماره 2

Spin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes

صفحه 146 - 150   دوره 2    شماره 2

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

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

A review of Fischer-Tropsch synthesis on the cobalt based catalysts

صفحه 179 - 201   دوره 2    شماره 2

Study of Activity Coefficient of Hydrochloric Acid in 2-Propanol-Water Mixture by Electromotive Force Measurement Method

صفحه 151 - 158   دوره 2    شماره 2

Materials Based on Carbazole for Organic Solar Cells Applications. Theoretical Investigations

صفحه 244 - 251   دوره 2    شماره 2

Design, Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer

صفحه 202 - 216   دوره 2    شماره 2

Calculation of Thermodynamic Properties of the Quasi-one Dimensional Liquid 3He at Finite Temperature

صفحه 252 - 259   دوره 2    شماره 2

Antibacterial Activity of Short-Chained 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Ionic Liquids

صفحه 260 - 269   دوره 2    شماره 2

Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study

صفحه 1 - 10   دوره 2    شماره 1

The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules

صفحه 11 - 20   دوره 2    شماره 1

Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study

صفحه 30 - 40   دوره 2    شماره 1

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

Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates

صفحه 21 - 29   دوره 2    شماره 1

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

Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center

صفحه 41 - 52   دوره 2    شماره 1

Thermodynamic properties of the ionized gas 3He

صفحه 90 - 95   دوره 2    شماره 1

Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface

صفحه 53 - 67   دوره 2    شماره 1

Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL

صفحه 96 - 115   دوره 2    شماره 1

Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement

صفحه 116 - 122   دوره 2    شماره 1

Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin

صفحه 111 - 116   دوره 1    شماره 2

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

First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress

صفحه 99 - 103   دوره 1    شماره 2

Hydrophilicity and antibacterial properties of Ag / TiO2 nanoparticle

صفحه 126 - 133   دوره 1    شماره 2

Does One-third Scheme of PBE0 Functional Dominate Over PBE0 for Electronic Properties of Transition Metal Compounds?

صفحه 104 - 110   دوره 1    شماره 2

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

Director Structures in a Chiral Nematic Slab: Threshold Field and Pitch Variations

صفحه 134 - 141   دوره 1    شماره 2

Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration

صفحه 152 - 165   دوره 1    شماره 2

Quantum dots of CdS synthesized by micro-emulsion under ultrasound: size distribution and growth kinetics

صفحه 166 - 174   دوره 1    شماره 2

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

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

Influence of a Crown Ether on the Spectral Properties of Triarylmethane Dyes in Aqueous and Micellar Environments

صفحه 52 - 60   دوره 1    شماره 1

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

High-Level Quantum Chemical Calculations of Ozone-Water Complexes

صفحه 41 - 51   دوره 1    شماره 1

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

The Thermodynamic Properties of Polarized Metallic Nanowire in the Presence of Magnetic Field

صفحه 34 - 40   دوره 1    شماره 1

Diffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis

صفحه 61 - 68   دوره 1    شماره 1

Nanofluids for Heat Transfer Enhancement – A Review

صفحه 1 - 33   دوره 1    شماره 1

Kinetic Study of Fischer Tropsch Synthesis over co Precipitated Iron-Cerium Catalyst

صفحه 69 - 80   دوره 1    شماره 1
دانشگاه شهید بهشتی
Anonymous peer review
فارسی - Persian
داوری یک سو ناشناس