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Journal of Molecular Modeling
|
August 31, 2011
Characteristics and nature of the intermolecular interactions in boron-bonded complexes with carbene as electron donor: an ab initio, SAPT and QTAIM study
Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
May 19, 2019
Electric field assisted activation of CO<sub>2</sub> over P-doped graphene: A DFT study
Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
November 3, 2018
Oxidation of SO<sub>2</sub> over C-doped boron nitride nanosheets: The role of C-doping, and solvent effects
Mehdi D Esrafili
Journal of Molecular Modeling
|
December 29, 2021
Ca functionalized N-doped porphyrin-like porous C<sub>60</sub> as an efficient material for storage of molecular hydrogen
Mehdi D Esrafili
Journal of Molecular Modeling
|
October 8, 2024
Low-temperature oxidation of methane mediated by Al-doped ZnO cluster and nanowire: a first-principles investigation
Mehdi D Esrafili
Journal of Molecular Modeling
|
December 11, 2012
A theoretical investigation of the characteristics of hydrogen/halogen bonding interactions in dibromo-nitroaniline
Mehdi D Esrafili
Journal of Molecular Modeling
|
June 28, 2012
Investigation of H-bonding and halogen-bonding effects in dichloroacetic acid: DFT calculations of NQR parameters and QTAIM analysis
Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
March 23, 2017
The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational study
Mehdi D Esrafili, Soheila Asadollahi
Journal of Molecular Graphics & Modelling
|
December 23, 2021
Sc-functionalized porphyrin-like porous fullerene for CO<sub>2</sub> storage and separation: A first-principles evaluation
Mehdi D Esrafili, Parisasadat Mousavian
Molecules (Basel, Switzerland)
|
October 18, 2018
Strong Tetrel Bonds: Theoretical Aspects and Experimental Evidence
Mehdi D Esrafili, Parisasadat Mousavian
Page
of 8
Search research articles
Search
Showing results (1-10 of 78) with videos related to
Sort By:
Page
of 8
Journal of Molecular Modeling
|
August 31, 2011
Characteristics and nature of the intermolecular interactions in boron-bonded complexes with carbene as electron donor: an ab initio, SAPT and QTAIM study
Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
May 19, 2019
Electric field assisted activation of CO<sub>2</sub> over P-doped graphene: A DFT study
Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
November 3, 2018
Oxidation of SO<sub>2</sub> over C-doped boron nitride nanosheets: The role of C-doping, and solvent effects
Mehdi D Esrafili
Journal of Molecular Modeling
|
December 29, 2021
Ca functionalized N-doped porphyrin-like porous C<sub>60</sub> as an efficient material for storage of molecular hydrogen
Mehdi D Esrafili
Journal of Molecular Modeling
|
October 8, 2024
Low-temperature oxidation of methane mediated by Al-doped ZnO cluster and nanowire: a first-principles investigation
Mehdi D Esrafili
Journal of Molecular Modeling
|
December 11, 2012
A theoretical investigation of the characteristics of hydrogen/halogen bonding interactions in dibromo-nitroaniline
Mehdi D Esrafili
Journal of Molecular Modeling
|
June 28, 2012
Investigation of H-bonding and halogen-bonding effects in dichloroacetic acid: DFT calculations of NQR parameters and QTAIM analysis
Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
March 23, 2017
The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational study
Mehdi D Esrafili, Soheila Asadollahi
Journal of Molecular Graphics & Modelling
|
December 23, 2021
Sc-functionalized porphyrin-like porous fullerene for CO<sub>2</sub> storage and separation: A first-principles evaluation
Mehdi D Esrafili, Parisasadat Mousavian
Molecules (Basel, Switzerland)
|
October 18, 2018
Strong Tetrel Bonds: Theoretical Aspects and Experimental Evidence
Mehdi D Esrafili, Parisasadat Mousavian
Page
of 8