| Density functional theory study of new azo dyes with different π-spacers for dye-sensitized solar cells SB Novir, SM Hashemianzadeh Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 143, 20-34, 2015 | 67 | 2015 |
| Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 SB Novir, MR Aram Chemical physics letters 757, 137869, 2020 | 61 | 2020 |
| The polythiophene molecular segment as a sensor model for H2O, HCN, NH3, SO3, and H2S: a density functional theory study A Shokuhi Rad, M Esfahanian, E Ganjian, H Tayebi, SB Novir Journal of molecular modeling 22, 1-8, 2016 | 28 | 2016 |
| Computational investigation of low band gap dyes based on 2-styryl-5-phenylazo-pyrrole for dye-sensitized solar cells SB Novir, SM Hashemianzadeh Current Applied Physics 14 (10), 1401-1410, 2014 | 28 | 2014 |
| Quantum mechanical studies of the adsorption of Remdesivir, as an effective drug for treatment of COVID-19, on the surface of pristine, COOH-functionalized and S-, Si-and Al … SB Novir, MR Aram Physica E: Low-dimensional Systems and Nanostructures 129, 114668, 2021 | 23 | 2021 |
| Computational study of new azo dyes with different anchoring groups for dye-sensitised solar cells SB Novir, SM Hashemianzadeh Molecular Physics 114 (5), 650-662, 2016 | 22 | 2016 |
| Quantum chemical investigation of structural and electronic properties of trans-and cis-structures of some azo dyes for dye-sensitized solar cells SB Novir, SM Hashemianzadeh Computational and Theoretical Chemistry 1102, 87-97, 2017 | 20 | 2017 |
| A DFT study of O2 and Cl2 adsorption onto Al12N12 fullerene- like nanocluster AM Ali Shokuhi Rad, Samaneh Bagheri Novir, Soheil Mohseni, Nadia Ramezani ... Heteroatom chemistry 28, 1-8, 2017 | 18* | 2017 |
| Density functional theory study of structural and electronic properties of trans and cis structures of thiothixene as a nano-drug SB Novir Journal of molecular modeling 23, 356, 2017 | 15* | 2017 |
| Deep analysis of N-cadherin/ADH-1 interaction: a computational survey M Eslami, N Nezafat, S Khajeh, Z Mostafavi-Pour, S Bagheri Novir, ... Journal of Biomolecular Structure and Dynamics 37 (1), 210-228, 2019 | 12 | 2019 |
| Quantum study of DHA, DPA and EPA anticancer fatty acids for microscopic explanation of their biological functions SB Novir, A Tirandaz, H Lotfipour Journal of Molecular Liquids 325, 114646, 2021 | 11 | 2021 |
| Computational investigation of structural and electronic properties of cis and trans structures of fluvoxamine as a nano-drug SB Novir Computational and Theoretical Chemistry 1105, 33-45, 2017 | 10 | 2017 |
| Molecular structure, electronic properties and charge transfer analysis of clopenthixol as a nano-drug with quantum chemical calculations S Bagheri Novir Canadian Journal of Physics 96 (ja), 312-327, 2017 | 6* | 2017 |
| DFT and TDDFT study of some bifunctional hemithioindigo chromophores SB Novir Chemical Physics Letters 690, 86-100, 2017 | 6 | 2017 |
| Semiempirical, ab initio and density functional studies on structural and electronic properties of trans-and cis-cAMPB (H2O) MA Safarpour, SB Navir, M Jamali, AR Mehdipour Journal of Molecular Structure: THEOCHEM 900 (1-3), 19-26, 2009 | 5 | 2009 |
| Tacrine-flavonoid quercetin hybride as a MTDL ligand against alzheimer’s disease with metal chelating and AChE, BChE, AChE-induced Aβ aggregation inhibition properties: A … R Habibpour Gharacheh, M Eslami, P Amani, S Bagheri Novir Physical Chemistry Research 7 (3), 561-579, 2019 | 4 | 2019 |
| A theoretical study of the structural and electronic properties of trans and cis structures of chlorprothixene as a nano-drug SB Novir Current Applied Physics 17, 1754-1764, 2017 | 3 | 2017 |
| Quantum mechanical investigations of mechanical and thermodynamic properties of SiC and ZrO2 ceramics SB Novir, MR Aram Journal of Molecular Modeling 27, 1-14, 2021 | 2 | 2021 |
| Theoretical study of Z-and E-isomers of some hemithioindigo-based peptide-switches SB Novir Journal of Photochemistry and Photobiology A: Chemistry 356, 464-476, 2018 | 2 | 2018 |
| A quantum study on novel azo-dyes containing a fullerene C60 unit as a smart material for optoelectronic applications S Bagheri Novir, MR Aram Journal of Molecular Modeling 26, 1-18, 2020 | 1 | 2020 |
S. Majid HashemianzadehMolecular Simulation Research Laboratory; Iran University of Science and TechnologyVerified email at iust.ac.ir
