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Fariba Mohammadian-Sabet
Fariba Mohammadian-Sabet
Ph.D. in Physical Chemistry, University of Tehran
Zweryfikowany adres z ut.ac.ir - Strona główna
Tytuł
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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
572015
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
562014
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
542015
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
442013
Does single-electron chalcogen bond exist? Some theoretical insights
MD Esrafili, F Mohammadian-Sabet
Journal of Molecular Modeling 21, 1-9, 2015
432015
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
372015
Cooperativity of tetrel bonds tuned by substituent effects
MD Esrafili, F Mohammadian-Sabet
Molecular Physics 114 (9), 1528-1538, 2016
352016
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
322016
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
312016
Single-electron aerogen bonds: Do they exist?
MD Esrafili, F Mohammadian-Sabet, M Solimannejad
Chemical Physics Letters 659, 196-202, 2016
292016
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
282019
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
262015
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
252015
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
242016
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
232015
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
232015
An ab initio study on anionic aerogen bonds
MD Esrafili, F Mohammadian-Sabet
Chemical Physics Letters 667, 337-344, 2017
212017
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
202016
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
202014
Substituent effects on cooperativity of pnicogen bonds
MD Esrafili, M Ghanbari, F Mohammadian-Sabet
Journal of molecular modeling 20, 1-9, 2014
202014
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