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Multi switching behavior of hydrogen passivated silicene as molecular junction: A DFT-NEGF approach

ISI Paper
Jaber Jahanbin Sardroodi*, Sadegh Afshari, Alireza Rastkar Ebrahimzadeh ...
Journal of Theoretical and Computational Chemistry Vol. 13, No. 6 (2014) 1450046
Publication year: 2014

Sensing properties of pristine, Al-doped, and defected boron nitride nanosheet toward mercaptans: a first-principles study

ISI Paper
Hassan Heidari, Sadegh Afshari and Esmaeil Habibic
RSC Adv., 2015,5, 94201-94209
Publication year: 2015

The quantum transport of pyrene and its silicon-doped variant: a DFT-NEGF approach

ISI Paper
A. Rastkar , B. Ghavami, J. Jahanbin, S. Afshari, M. Yaghoobi
Journal of Computational Electronics June 2015, Volume 14, Issue 2, pp 619-626
Publication year: 2015

A First Principles Study of Interaction of Water with Boron–Nitrogen Doped Adamantane Nano Block

ISI Paper
Rastkar, Alireza; Azamat, Jafar; Sardroodi, Jaber Jahanbin; Mazaher, Elnaz; Afshari, Sadegh
Journal of Computational and Theoretical Nanoscience, Volume 12, Number 8, August 2015, pp. 1882-1887(6)
Publication year: 2015

A THEORETICAL INVESTIGATION OF SUBSTITUENT EFFECTS ON STRUCTURE AND NQR PARAMETERS OF PHENACYL PHENYL SULFIDE DERIVATIVES

ISI Paper
S. AFSHARI, A. HASSANZADEH, H. RAHEMI, R. A. TAHERI-NASAB
J. Theor. Comput. Chem. 09, 745 (2010)
Publication year: 2010

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

ISI Paper
Sadegh Afshari
Phys. Chem. Res., Vol. 6, No. 1, 133-142
Publication year: 2018

Synthesis, characterization, spectroscopic and theoretical studies of new zinc(II), copper(II) and nickel(II) complexes based on imine ligand containing 2-aminothiophenol moiety

ISI Paper
Bita Shafaatian, S. Sedighe Mousavi, Sadegh Afshari
Journal of Molecular Structure 1123 (2016) 191e198
Publication year: 2016