Theoretical study addressing the effects of tautomerism and explicit/implicit water molecules on NQR and NMR parameters of tetrazole-5-thioneTahan, Arezoo · Magnetic Resonance in Chemistry · 2017

Theoretical studies on the tautomerism and intramolecular hydrogen shifts of 5-Amino-tetrazole in the gas phaseJian-Guo Zhang; Li-Na Feng; Yuan-Jie Shu; Shao-Wen Zhang; Tong-Lai Zhang; Li Yang; Man Wu · 2009

Studies on tautomerism in the triazoline dioneBeni, Alireza Salimi; Dalirnasab, Zeinab; Teimouri, Abbas; Chermahini, Alireza Najafi · Canadian Journal of Chemistry · 2011

Theoretical studies on the reactivity of thiazole derivativesHosseinzadeh, Behzad; Chermahini, Alireza Najafi; Beni, Alireza Salimi; Teimouri, Abbas · Monatshefte für Chemie - Chemical Monthly · 2014

Theoretical studies on the reactivity of mono-substituted imidazole ligandsChermahini, Alireza Najafi; Hosseinzadeh, Behzad; Salimi Beni, Alireza; Teimouri, Abbas · Structural Chemistry · 2014

Relation between the substituent effect and aromaticity in imidazole derivatives: A comparative studyAlireza Najafi Chermahini; Behzad Hosseinzadeh; Alireza Salimi Beni; Abbas Teimouri · 2012

Theoretical studies on the effect of substituent in the proton transfer reaction of 4-substituted pyrazolesChermahini, Alireza Najafi; Teimouri, Abbas; Salimi Beni, Alireza; Dordahan, Fatemeh · Computational and Theoretical Chemistry · 2013

Novel organic dyes with anchoring group of barbituric/thiobarbituric acid and their application in dye-sensitized solar cellsHosseinzadeh, Behzad; Salimi Beni, Alireza; Najafi Chermahini, Alireza; Ghahary, Raheleh; Teimouri, Abbas · Synthetic Metals · 2015

A periodic density functional theory study of tetrazole adsorption on anatase surfaces: potential application of tetrazole rings in dye-sensitized solar cellsChermahini, Alireza Najafi; Hosseinzadeh, Behzad; Beni, Alireza Salimi; Teimouri, Abbas; Moradi, Mahmood · Journal of Molecular Modeling · 2014