Publications

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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

The computational study of anti-HIV activity of 2- and 3- adamantyl substitutedthiazolizin -4-ones.

Conference Paper
Sadegh Afshari
1st Tabriz international life Science Conference
Publication year: 2013

Theoretical Computation of the Quantum Transport of Zigzag Mono-Layer Graphenes with Various z-Direction Width

Conference Paper
Sadegh afshari
Conference Of Nano Computations Pharmaceutical Sciences Branch, IAU
Publication year: 2012

بررسي نظري و مقايسه اي انرژي قدرت انفجاري تركيبات TNT ، RDX، HMX به روش طيف سنجي(NQR)

Conference PaperJournal Paper
Sadegh Afshari
پنجمين همايش مواد منفجره و پيشرانه در پ‍ژوهشكدة علوم و فناوري شيميايي
Publication year: 2008

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

Theoretical computation of the quantum transport of zigzag mono-layer Graphenes with various z-direction widths

Journal Paper
J. Jahanbin Sardroodi, S. Afshari A. R. Rastkar Ebrahimzadeh M. Abbasi
Int. J.Nano Dimens. 6(1): 105-109, Winter 2015
Publication year: 2015

Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles

Journal Paper
A. Rastkar Ebrahimzadeh; M. Abbasi; J. Jahanbin Sardroodi; S. Afshari
Int. J.Nano Dimens. 6(1): 11-17, Winter 2015
Publication year: 2015

Investigating and introducing NQR method for distinction new substances that have narcotic substances properties.

Conference Paper
Sadegh Afshari
Congress On Detection and Analysis of ILLICIT DRUGS
Publication year: 2011

The effect of pressure on retention time water permeation through carbon nanotube

Conference Paper
Sadegh Afshari
15th Iranian Chemistry Congress, Bu-Ali Sina University, Hamedan, Iran
Publication year: 2011

A theoretical investigation of relationship between the NQCC parameter and antiviral agents activity of 1-Adamantanamine derivatives.

Conference Paper
Sadegh Afshari
15th Iranian Chemistry Congress, Bu-Ali Sina University, Hamedan, Iran
Publication year: 2011

بررسی نظری اثر استخلاف بر روی پارامتر های رزونانس چهار قطبی هسته (NQR) برای مشتقات 1- فنیل - 2 - (فنیل تیو) اتانون

Conference Paper
Sadegh afshari
3rd Iranian National Congress On chemistry
Publication year: 2007

بررسی نظری اثر گروههای استخلافی بر روی قطبش پذیری و فوق قطبش پذیری (مشخصه های اپتیک غیر خطی (NLO) مشتقات ایمیدازولین – 2 –ایلیدین

Conference Paper
Sadegh Afshari
3rd Iranian National Congress On chemistry
Publication year: 2007

بررسي اثراستخلاف بر روي عملكرد تركيبات تري نيتروآنيزول، تري نيتروتولوئن و پيكريك اسيد با استفاده ازمحاسبات نظري پارامترهاي طيف سنجي چهار قطبي هسته هايN14

Conference PaperJournal Paper
Sadegh Afshari
پنجمين همايش مواد منفجره و پيشرانه در پ‍ژوهشكدة علوم و فناوري شيميايي
Publication year: 2008

Structures and Electronic Properties of Aluminium Nanowires Encapsulated in Single-walled Boron Nitride H-capped and open end Nanotube

Conference Paper
Sadegh Afshari
پانزدهمین كنگره شيمي فیزیک ايران تهران شهریور سال 1391
Publication year: 2012

بررسی نظری ترابرد کوانتومی گرافن آلاییده شده با سیلسیم و ژرمانیوم

Conference Paper
sadegh Afshari
اولین همایش ملی غلوم و فناوری نانو
Publication year: 2013

QUANTUM CHMEMISTRY

Book Chapter
Sadegh Afshari
ISBN: 978-600-7262-10-8
Publication year: 2014