An ab initio study on chalcogen–chalcogen bond interactions in cyclic (SHX) 3 complexes (X= F, Cl, CN, NC, CCH, OH, OCH3, NH2) MD Esrafili, F Mohammadian-Sabet Chemical Physics Letters 628, 71-75, 2015 | 57 | 2015 |
A theoretical evidence for mutual influence between S···N(C) and hydrogen/lithium/halogen bonds: competition and interplay between π-hole and σ-hole interactions MD Esrafili, F Mohammadian-Sabet, M Solimannejad Structural Chemistry 25, 1197-1205, 2014 | 56 | 2014 |
Bifurcated chalcogen bonds: A theoretical study on the structure, strength and bonding properties MD Esrafili, F Mohammadian-Sabet Chemical Physics Letters 634, 210-215, 2015 | 54 | 2015 |
Theoretical study of the interplay between halogen bond and lithium–π interactions: cooperative and diminutive effects MD Esrafili, P Esmailpour, F Mohammadian-Sabet, M Solimannejad Chemical Physics Letters 588, 47-50, 2013 | 44 | 2013 |
Does single-electron chalcogen bond exist? Some theoretical insights MD Esrafili, F Mohammadian-Sabet Journal of Molecular Modeling 21, 1-9, 2015 | 43 | 2015 |
Ab initio calculations of cooperativity effects on chalcogen bonding: linear clusters of (OCS)2–8 and (OCSe)2–8 MD Esrafili, F Mohammadian-Sabet Structural Chemistry 26, 199-206, 2015 | 37 | 2015 |
Cooperativity of tetrel bonds tuned by substituent effects MD Esrafili, F Mohammadian-Sabet Molecular Physics 114 (9), 1528-1538, 2016 | 35 | 2016 |
Theoretical insights into nature of π-hole interactions between triel centers (B and Al) and radical methyl as a potential electron donor: Do single-electron triel bonds exist? MD Esrafili, F Mohammadian-Sabet Structural Chemistry 27, 1157-1164, 2016 | 32 | 2016 |
Oxidation of CO by N 2 O over Al-and Ti-doped graphene: a comparative study MD Esrafili, F Mohammadian-Sabet, P Nematollahi RSC advances 6 (69), 64832-64840, 2016 | 31 | 2016 |
Single-electron aerogen bonds: Do they exist? MD Esrafili, F Mohammadian-Sabet, M Solimannejad Chemical Physics Letters 659, 196-202, 2016 | 29 | 2016 |
Tuning of pnicogen and chalcogen bonds by an aerogen-bonding interaction: a comparative ab initio study MD Esrafili, P Mousavian, F Mohammadian-Sabet Molecular Physics 117 (1), 58-66, 2019 | 28 | 2019 |
Mutual influence between anion–π and pnicogen bond interactions: The enhancement of P⋯ N and P⋯ O interactions by an anion–π bond MD Esrafili, F Mohammadian-Sabet, M Solimannejad Journal of Molecular Graphics and Modelling 57, 99-105, 2015 | 26 | 2015 |
Pnicogen–pnicogen interactions in O2XP: PH2Y complexes (X= H, F, CN; Y= H, OH, OCH3, CH3, NH2) MD Esrafili, F Mohammadian-Sabet Chemical Physics Letters 638, 122-127, 2015 | 25 | 2015 |
Exploring “aerogen–hydride” interactions between ZOF2 (Z= Kr, Xe) and metal hydrides: An ab initio study MD Esrafili, F Mohammadian-Sabet Chemical Physics Letters 654, 23-28, 2016 | 24 | 2016 |
Cooperative effects between tetrel bond and other σ–hole bond interactions: A comparative investigation MD Esrafili, R Nurazar, F Mohammadian-Sabet Molecular Physics 113 (23), 3703-3711, 2015 | 23 | 2015 |
The dual role of halogen, chalcogen, and pnictogen atoms as L ewis acid and base: Triangular XBr: SHX: PH2X complexes (X= F, Cl, Br, CN, NC, OH, NH2, and OCH3) MD Esrafili, F Mohammadian‐Sabet, MM Baneshi International Journal of Quantum Chemistry 115 (22), 1580-1586, 2015 | 23 | 2015 |
An ab initio study on anionic aerogen bonds MD Esrafili, F Mohammadian-Sabet Chemical Physics Letters 667, 337-344, 2017 | 21 | 2017 |
An ab initio study on the nature of σ-hole interactions in pnicogen-bonded complexes with carbene as an electron donor MD Esrafili, F Mohammadian-Sabet, E Vessally Molecular Physics 114 (14), 2115-2122, 2016 | 20 | 2016 |
An ab initio study on the concerted interaction between chalcogen and pnicogen bonds BM Asiabar, MD Esrafili, F Mohammadian-Sabet, HR Sobhi, M Javaheri Journal of molecular modeling 20, 1-10, 2014 | 20 | 2014 |
Substituent effects on cooperativity of pnicogen bonds MD Esrafili, M Ghanbari, F Mohammadian-Sabet Journal of molecular modeling 20, 1-9, 2014 | 20 | 2014 |