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Journal of Molecular Modeling|September 1, 2012
Carbon nanotube functionalization with carboxylic derivatives: a DFT studyJavad Beheshtian, Ali Ahmadi Peyghan, Zargham BagheriJournal of Molecular Modeling|October 8, 2011
The H2 dissociation on the BN, AlN, BP and AlP nanotubes: a comparative studyJavad Beheshtian, Hamed Soleymanabadi, Mohammad Kamfiroozi, et al.Physical Chemistry Chemical Physics : PCCP|March 4, 2020
Phase transition and mechanical properties of cesium bismuth silver halide double perovskites (Cs2AgBiX6, X = Cl, Br, I): a DFT approachMahdi Faghihnasiri, Javad Beheshtian, Farzaneh Shayeganfar, et al.Journal of Molecular Modeling|May 20, 2022
Fundamental mechanisms of hexagonal boron nitride sensing of dopamine, tryptophan, ascorbic acid, and uric acid by first-principles studyElham Rezayei, Javad Beheshtian, Farzaneh Shayeganfar, et al.Journal of Molecular Modeling|November 17, 2011
A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cagesJavad Beheshtian, Zargham Bagheri, Mohammad Kamfiroozi, et al.Physical Chemistry Chemical Physics : PCCP|October 20, 2015
Theoretical prediction of silicene as a new candidate for the anode of lithium-ion batteriesSeyedeh Mozhgan Seyed-Talebi, Iraj Kazeminezhad, Javad BeheshtianJournal of Molecular Graphics & Modelling|July 8, 2008
Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: sulfamerazine and sulfathiazoleMehdi D Esrafili, Hadi Behzadi, Javad Beheshtian, et al.Chemosphere|February 2, 2024
Green in situ synthesis of sandwich-like W-bridged siligraphene (g-SiC@WC@g-SiC) heterostructure from Saccharum Ravennae gum for ultrahigh-rate photodegradation of acetaminophenMaryam Afsharpour, Hamid Reza Behtooei, Azam Anaraki Firooz, et al.Journal of Molecular Modeling|December 11, 2012
Exohedral and endohedral adsorption of alkaline earth cations in BN nanoclusterJavad Beheshtian, Mohammad Bigdeli Tabar, Zargham Bagheri, et al.Journal of Molecular Modeling|June 9, 2012
Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational studyJavad Beheshtian, Mohammad T Baei, Ali Ahmadi Peyghan, et al.Pageof 3