Fariba Mohammadian-Sabet

发表

An ab initio study on the concerted interaction between chalcogen and pnicogen bonds

M. Esrafili, M. Javaheri, Hamid Reza Sobhi, 2014, Journal of Molecular Modeling.

Substituent effects on cooperativity of pnicogen bonds

M. Esrafili, Fariba Mohammadian-Sabet, M. Ghanbari, 2014, Journal of Molecular Modeling.

Exploring σ-hole bonding in XH3Si···HMY (X=H, F, CN; M=Be, Mg; Y=H, F, CH3) complexes: a “tetrel-hydride” interaction

M. Esrafili, Fariba Mohammadian-Sabet, 2015, Journal of Molecular Modeling.

Oxidation of CO by N2O over Al- and Ti-doped graphene: a comparative study

M. Esrafili, P. Nematollahi, Fariba Mohammadian-Sabet, 2016 .

Catalytic decomposition of hydrazine borane over pristine and Al-embedded boron nitride nanotubes: A DFT study

M. Esrafili, P. Nematollahi, Fariba Mohammadian-Sabet, 2016 .

An ab initio investigation of chalcogen–hydride interactions involving HXeH as a chalcogen bond acceptor

M. Esrafili, M. Baneshi, Fariba Mohammadian-Sabet, 2016, Structural Chemistry.

An ab initio study on anionic aerogen bonds

M. Esrafili, Fariba Mohammadian-Sabet, 2017 .

Theoretical study on cooperative interplay between anion–π and chalcogen-bonding interactions

M. Esrafili, H. Haddadi, Fariba Mohammadian-Sabet, 2015 .

Cooperative and substitution effects in enhancing the strength of fluorine bonds by anion−π interactions

M. Esrafili, M. Baneshi, Fariba Mohammadian-Sabet, 2015 .

Halogen-Bond Interactions Enhanced by Charge-Assisted Hydrogen Bonds: An Ab Initio Study

M. Esrafili, Fariba Mohammadian-Sabet, 2014 .

Cooperativity between fluorine-centered halogen bonds: investigation of substituent effects

Fariba Mohammadian-Sabet, M. Solimannejad, Parvin Esmailpour, 2013, Journal of Molecular Modeling.

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

Mehdi D. Esrafili, Mohammad Solimannejad, M. Esrafili, 2014, Structural Chemistry.

An ab initio study on chalcogen-chalcogen bond interactions in cyclic (SHX)3 complexes (X = F, Cl, CN, NC, CCH, OH, OCH3, NH2)

M. Esrafili, Fariba Mohammadian-Sabet, 2015 .

Prediction and characterisation of a chalcogen···π interaction with acetylene as a potential electron donor in XHS···HCCH and XHSe···HCCH (X = F, Cl, Br, CN, OH, OCH3, NH2, CH3) σ-hole complexes

M. Esrafili, Fariba Mohammadian-Sabet, 2015 .

Does single-electron chalcogen bond exist? Some theoretical insights

M. Esrafili, Fariba Mohammadian-Sabet, 2015, Journal of Molecular Modeling.

Exploring “aerogen–hydride” interactions between ZOF 2 (Z = Kr, Xe) and metal hydrides: An ab initio study

M. Esrafili, Fariba Mohammadian-Sabet, 2016 .

σ-Hole bond tunability in YO2X2:NH3 and YO2X2:H2O complexes (X = F, Cl, Br; Y = S, Se): trends and theoretical aspects

M. Esrafili, Fariba Mohammadian-Sabet, 2016, Structural Chemistry.

Bifurcated chalcogen bonds: A theoretical study on the structure, strength and bonding properties

M. Esrafili, Fariba Mohammadian-Sabet, 2015 .

Ab initio calculations of cooperativity effects on chalcogen bonding: linear clusters of (OCS)2–8 and (OCSe)2–8

M. Esrafili, Fariba Mohammadian-Sabet, 2015, Structural Chemistry.

Mutual influence between anion-π and pnicogen bond interactions: the enhancement of P⋯N and P⋯O interactions by an anion-π bond.

M. Esrafili, Fariba Mohammadian-Sabet, M. Solimannejad, 2015, Journal of molecular graphics & modelling.

An ab initio study on substituent and cooperative effects in bifurcated fluorine bonds

M. Esrafili, E. Vessally, Fariba Mohammadian-Sabet, 2017 .

The influence of halogen-bonding cooperativity on the hydrogen and lithium bonds: an ab initio study

M. Esrafili, Parisasadat Mousavian, Fariba Mohammadian-Sabet, 2019, Molecular Physics.

The influence of hydrogen- and lithium-bonding on the cooperativity of chalcogen bonds: A comparative ab initio study

M. Esrafili, Parisasadat Mousavian, Fariba Mohammadian-Sabet, 2018, Molecular Physics.

Tuning of pnicogen and chalcogen bonds by an aerogen-bonding interaction: a comparative ab initio study

M. Esrafili, Parisasadat Mousavian, Fariba Mohammadian-Sabet, 2018, Molecular Physics.

Single-electron aerogen bonds: Do they exist?

M. Esrafili, Fariba Mohammadian-Sabet, M. Solimannejad, 2016 .

Theoretical study of the interplay between halogen bond and lithium-π interactions: Cooperative and diminutive effects

M. Esrafili, Fariba Mohammadian-Sabet, M. Solimannejad, 2013 .

Homonuclear chalcogen–chalcogen bond interactions in complexes pairing YO3 and YHX molecules (Y = S, Se; X = H, Cl, Br, CCH, NC, OH, OCH3): Influence of substitution and cooperativity

M. Esrafili, Fariba Mohammadian-Sabet, 2016 .

Cooperative effects between tetrel bond and other σ–hole bond interactions: a comparative investigation

M. Esrafili, Fariba Mohammadian-Sabet, Roghaye Nurazar, 2015 .

Pnicogen–pnicogen interactions in O2XP:PH2Y complexes (X = H, F, CN; Y = H, OH, OCH3, CH3, NH2)

M. Esrafili, Fariba Mohammadian-Sabet, 2015 .

An ab initio study on the nature of σ-hole interactions in pnicogen-bonded complexes with carbene as an electron donor

M. Esrafili, E. Vessally, Fariba Mohammadian-Sabet, 2016 .

Cooperativity of tetrel bonds tuned by substituent effects

M. Esrafili, Fariba Mohammadian-Sabet, 2016 .

An ab initio study on cationic chalcogen bond interactions between F 3−n H n S + ( n = 0–2) and nitrogen bases

M. Esrafili, Fariba Mohammadian-Sabet, 2016 .

Substituent effects on geometry and bonding properties of asymmetric bifurcated pnicogen bonds: A theoretical study

M. Esrafili, Fariba Mohammadian-Sabet, 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?

M. Esrafili, Fariba Mohammadian-Sabet, 2016, Structural Chemistry.

The dual role of halogen, chalcogen, and pnictogen atoms as Lewis acid and base: Triangular XBr:SHX:PH2X complexes (X = F, Cl, Br, CN, NC, OH, NH2, and OCH3)

M. Esrafili, M. Baneshi, Fariba Mohammadian-Sabet, 2015 .

Tuning of carbon bonds by substituent effects: an ab initio study

H. Kiani, M. Esrafili, Fariba Mohammadian-Sabet, 2016 .