دوره و شماره: دوره: 4 شماره: 4
تعداد مقالات: 15

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

صفحه 519 - 530   دوره 4    شماره 4
Housaindokht, Mohammad Reza Barani, Elham Izadyar, Mohammad

Computational Study on Reduction Potential of [CoP4N2(OH2)2]2+ as a Super-Efficient Catalyst in Electrochemical Hydrogen Evolution

صفحه 531 - 538   دوره 4    شماره 4
Mousavi-khoshdel, Seyed Morteza Molaei, Masoumeh Ghiasi, Mina

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

صفحه 539 - 551   دوره 4    شماره 4
Bahrami, Hamed Farajmand, Bahman

Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism

صفحه 553 - 565   دوره 4    شماره 4
Izadyar, Mohammad Peymani, Samira Nakhaeipour, Ali

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

صفحه 583 - 589   دوره 4    شماره 4
Solimannejad, Mohammad Zebardasti, Abedin Hosseini, Seyyedeh Marziyeh

Adsorption of F-, Cl-, Li+ and Na+ on the Exterior Surface of Mg12O12 Nanocage in the Gas Phase and Water Media: A DFT Study

صفحه 591 - 605   دوره 4    شماره 4
Solimannejad, Mohammad Jouypazadeh, Hamidreza Noormohammadbeigi, Motahareh Kamalinahad, Saeedeh

A Computational Study on the Stability of Dapdiamide D Conformers

صفحه 567 - 581   دوره 4    شماره 4
Roghayeh Majdan‒Cegincara, Roghayeh Hosseinzadeh-Khanmiri, Rahim Ghadari, Rahim

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

صفحه 607 - 617   دوره 4    شماره 4
Azar, Yavar Taghipour Ahadi, Zohreh Shadman, Muhammad

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

صفحه 619 - 626   دوره 4    شماره 4
Shokuhi Rad, Ali

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

صفحه 627 - 641   دوره 4    شماره 4
Solimannejad, Mohammad

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

صفحه 643 - 654   دوره 4    شماره 4
Tafazzoli, Mohsen Ghiasi, Mina Gerayeli, Narjes

PVP-Assisted Synthesis of Cobalt Ferrite (CoFe2O4) Nanorods

صفحه 655 - 662   دوره 4    شماره 4
Farahmandjou, Majid Honarbakhsh, Sarvin Behrouzinia, Saeid

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

صفحه 693 - 706   دوره 4    شماره 4
Solimannejad, Mohammad Noormohammadbeigi, Motahareh

Measurement of Volumetric and Viscometric Properties of Binary Mixtures of Methyl Tert-butyl Ether (MTBE) + 1-Alcohol from 293.15 to 308.15 K and at Atmospheric Pressure

صفحه 673 - 691   دوره 4    شماره 4
Handali, Avatef Kianersi, Sina

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

صفحه 663 - 671   دوره 4    شماره 4
Salimi, Morteza Zarenezhad, Bahman Fakhraian, Hossein Choobdari, Ebrahim
دانشگاه شهید بهشتی
Anonymous peer review
فارسی - Persian
داوری یک سو ناشناس