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Journal of Molecular Modeling
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March 4, 2015
Does single-electron chalcogen bond exist? Some theoretical insights
Mehdi D Esrafili, Fariba Mohammadian-Sabet
Journal of Molecular Graphics & Modelling
|
March 15, 2019
A DFT study on NO reduction to N<sub>2</sub>O using Al- and P-doped hexagonal boron nitride nanosheets
Mehdi D Esrafili, Soheila Asadollahi, Safa Heydari
Journal of Molecular Modeling
|
September 18, 2013
Exploring surface reactivity of phosphorous-doped (6,0) and (4,4) BC3 nanotubes: a DFT study
Mohammad Alizadeh, Mehdi D Esrafili, Esmail Vessally
Journal of Molecular Graphics & Modelling
|
September 1, 2017
Catalytic hydrogenation of CO<sub>2</sub> over Pt- and Ni-doped graphene: A comparative DFT study
Mehdi D Esrafili, Fahimeh Sharifi, Leila Dinparast
Journal of Molecular Modeling
|
November 5, 2015
Tuning of chalcogen bonds by cation-π interactions: cooperative and diminutive effects
Mehdi D Esrafili, Nasibeh Saeidi, Mohammad Solimannejad
Journal of Molecular Graphics & Modelling
|
March 25, 2014
Mutual influence between conventional and unconventional lithium bonds
Mehdi D Esrafili, Parvin Fatehi, Mohammad Solimannejad
Journal of Molecular Modeling
|
October 1, 2013
Competition and interplay between the lithium bonding and hydrogen bonding: R₃C···HY···LiY and R₃C···LiY···HY triads as a working model (R=H, CH₃; Y=CN, NC)
Mohammad Solimannejad, Zahra Rezaei, Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
October 23, 2021
A DFT investigation into the effects of As-doping on the electronic structure and electrochemical activity of pyrite (FeS<sub>2</sub>)
Hossein Nourmohamadi, Mehdi D Esrafili, Valeh Aghazadeh
Journal of Molecular Modeling
|
February 12, 2014
Characterization of halogen···halogen interactions in crystalline dihalomethane compounds (CH2Cl2, CH2Br2 and CH2I2): a theoretical study
Mehdi D Esrafili, Mahshad Vakili, Mohammad Solimannejad
Journal of Molecular Modeling
|
February 14, 2014
Theoretical study of the complementarity in halogen-bonded complexes involving nitrogen and halogen as negative sites
Mehdi D Esrafili, Mahshad Vakili, Mohammad Solimannejad
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Search research articles
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Showing results (31-40 of 78) with videos related to
Sort By:
Page
of 8
Journal of Molecular Modeling
|
March 4, 2015
Does single-electron chalcogen bond exist? Some theoretical insights
Mehdi D Esrafili, Fariba Mohammadian-Sabet
Journal of Molecular Graphics & Modelling
|
March 15, 2019
A DFT study on NO reduction to N<sub>2</sub>O using Al- and P-doped hexagonal boron nitride nanosheets
Mehdi D Esrafili, Soheila Asadollahi, Safa Heydari
Journal of Molecular Modeling
|
September 18, 2013
Exploring surface reactivity of phosphorous-doped (6,0) and (4,4) BC3 nanotubes: a DFT study
Mohammad Alizadeh, Mehdi D Esrafili, Esmail Vessally
Journal of Molecular Graphics & Modelling
|
September 1, 2017
Catalytic hydrogenation of CO<sub>2</sub> over Pt- and Ni-doped graphene: A comparative DFT study
Mehdi D Esrafili, Fahimeh Sharifi, Leila Dinparast
Journal of Molecular Modeling
|
November 5, 2015
Tuning of chalcogen bonds by cation-π interactions: cooperative and diminutive effects
Mehdi D Esrafili, Nasibeh Saeidi, Mohammad Solimannejad
Journal of Molecular Graphics & Modelling
|
March 25, 2014
Mutual influence between conventional and unconventional lithium bonds
Mehdi D Esrafili, Parvin Fatehi, Mohammad Solimannejad
Journal of Molecular Modeling
|
October 1, 2013
Competition and interplay between the lithium bonding and hydrogen bonding: R₃C···HY···LiY and R₃C···LiY···HY triads as a working model (R=H, CH₃; Y=CN, NC)
Mohammad Solimannejad, Zahra Rezaei, Mehdi D Esrafili
Journal of Molecular Graphics & Modelling
|
October 23, 2021
A DFT investigation into the effects of As-doping on the electronic structure and electrochemical activity of pyrite (FeS<sub>2</sub>)
Hossein Nourmohamadi, Mehdi D Esrafili, Valeh Aghazadeh
Journal of Molecular Modeling
|
February 12, 2014
Characterization of halogen···halogen interactions in crystalline dihalomethane compounds (CH2Cl2, CH2Br2 and CH2I2): a theoretical study
Mehdi D Esrafili, Mahshad Vakili, Mohammad Solimannejad
Journal of Molecular Modeling
|
February 14, 2014
Theoretical study of the complementarity in halogen-bonded complexes involving nitrogen and halogen as negative sites
Mehdi D Esrafili, Mahshad Vakili, Mohammad Solimannejad
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of 8