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Mehdi D Esrafili

Showing results (11-20 of 78) with videos related to

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RSC Advances|May 11, 2022
NO reduction over an Al-embedded MoS<sub>2</sub> monolayer: a first-principles studyMehdi D Esrafili, Safa Heydari
Journal of Molecular Modeling|May 27, 2014
Halogen bonds enhanced by σ-hole and π-hole interactions: a comparative study on cooperativity and competition effects between X∙∙∙N and S∙∙∙N interactions in H3N∙∙∙XCN∙∙∙SF2 and H 3N∙∙∙XCN∙∙∙SO2 complexes (X   = F, Cl, Br and I)Mehdi D Esrafili, Mahshad Vakili
Journal of Molecular Graphics & Modelling|November 27, 2014
Hydrogen generation from methylamine using silicon carbide nanotubes as a dehydrogenation catalyst: a density functional theory studyMehdi D Esrafili, Roghaye Nurazar
Journal of Molecular Modeling|June 22, 2015
An ab initio study on tunability of σ-hole interactions in XHS:PH2Y and XH2P:SHY complexes (X = F, Cl, Br; Y = H, OH, OCH3, CH3, C2H5, and NH2)Mehdi D Esrafili, Nafiseh Mohammadirad
Journal of Molecular Graphics & Modelling|August 25, 2019
An effective approach for tuning catalytic activity of C<sub>3</sub>N nanosheets: Chemical-doping with the Si atomMehdi D Esrafili, Safa Heydari
Journal of Molecular Graphics & Modelling|August 13, 2021
Catalytic CO oxidation reaction over N-substituted graphene nanoribbon with edge defectsMehdi D Esrafili, Parisasadat Mousavian
Journal of Molecular Modeling|June 25, 2013
Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical studyMehdi D Esrafili, Mohammad Solimannejad
RSC Advances|May 2, 2022
Reversible CO<sub>2</sub> storage and efficient separation using Ca decorated porphyrin-like porous C<sub>24</sub>N<sub>24</sub> fullerene: a DFT studyMehdi D Esrafili, Sharieh Hosseini
Carbohydrate Research|December 2, 2011
DFT study of (17)O, (1)H and (13)C NMR chemical shifts in two forms of native cellulose, I(α) and I(β)Mehdi D Esrafili, Hashem Ahmadin
Journal of Molecular Modeling|February 15, 2013
A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energiesMehdi D Esrafili, Hadi Behzadi
Pageof 8

Showing results (11-20 of 78) with videos related to

Sort By:
Pageof 8
RSC Advances|May 11, 2022
NO reduction over an Al-embedded MoS<sub>2</sub> monolayer: a first-principles studyMehdi D Esrafili, Safa Heydari
Journal of Molecular Modeling|May 27, 2014
Halogen bonds enhanced by σ-hole and π-hole interactions: a comparative study on cooperativity and competition effects between X∙∙∙N and S∙∙∙N interactions in H3N∙∙∙XCN∙∙∙SF2 and H 3N∙∙∙XCN∙∙∙SO2 complexes (X   = F, Cl, Br and I)Mehdi D Esrafili, Mahshad Vakili
Journal of Molecular Graphics & Modelling|November 27, 2014
Hydrogen generation from methylamine using silicon carbide nanotubes as a dehydrogenation catalyst: a density functional theory studyMehdi D Esrafili, Roghaye Nurazar
Journal of Molecular Modeling|June 22, 2015
An ab initio study on tunability of σ-hole interactions in XHS:PH2Y and XH2P:SHY complexes (X = F, Cl, Br; Y = H, OH, OCH3, CH3, C2H5, and NH2)Mehdi D Esrafili, Nafiseh Mohammadirad
Journal of Molecular Graphics & Modelling|August 25, 2019
An effective approach for tuning catalytic activity of C<sub>3</sub>N nanosheets: Chemical-doping with the Si atomMehdi D Esrafili, Safa Heydari
Journal of Molecular Graphics & Modelling|August 13, 2021
Catalytic CO oxidation reaction over N-substituted graphene nanoribbon with edge defectsMehdi D Esrafili, Parisasadat Mousavian
Journal of Molecular Modeling|June 25, 2013
Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical studyMehdi D Esrafili, Mohammad Solimannejad
RSC Advances|May 2, 2022
Reversible CO<sub>2</sub> storage and efficient separation using Ca decorated porphyrin-like porous C<sub>24</sub>N<sub>24</sub> fullerene: a DFT studyMehdi D Esrafili, Sharieh Hosseini
Carbohydrate Research|December 2, 2011
DFT study of (17)O, (1)H and (13)C NMR chemical shifts in two forms of native cellulose, I(α) and I(β)Mehdi D Esrafili, Hashem Ahmadin
Journal of Molecular Modeling|February 15, 2013
A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energiesMehdi D Esrafili, Hadi Behzadi
Pageof 8