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Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms
Vanessa Labet, Christophe Morell, Alejandro Toro-Labbé, et al.
Journal of Computational Chemistry
|
May 1, 2021
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde
Abdelmalek Khorief Nacereddine, Lynda Merzoud, Christophe Morell, et al.
Journal of Molecular Modeling
|
March 12, 2013
Is hyper-hardness more chemically relevant than expected?
Christophe Morell, André Grand, Alejandro Toro-Labbé, et al.
The Journal of Physical Chemistry Letters
|
June 24, 2021
A Dynamic View of the Interaction of Histone Tails with Clustered Abasic Sites in a Nucleosome Core Particle
Emmanuelle Bignon, Natacha Gillet, Tao Jiang, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2014
Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands
Frédéric Guégan, Pierre Mignon, Vincent Tognetti, et al.
Journal of Computational Chemistry
|
December 29, 2023
Predicting the activity of methoxyphenol derivatives antioxidants: II-Importance of the nature of the solvent on the mechanism, a DFT study
Roumaissa Khelifi, Nadjia Latelli, Zoulikha Charifi, et al.
Journal of Chemical Theory and Computation
|
April 1, 2026
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response
Guillaume Hoffmann, Olivier Aroule, Rémi Grincourt, et al.
Journal of Molecular Modeling
|
October 30, 2018
Combined QTAIM and ETS-NOCV investigation of the interactions in Cl<sub>n</sub>M[PhB(N<sup>t</sup>Bu)<sub>2</sub>] complexes with M = Si & Ge (n = 0), As & Sb (n = 1), Te & Po (n = 2)
Salima Lakehal, Aicha Lakehal, Malika Bouchagour, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 3, 2015
DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside
Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, et al.
Nucleic Acids Research
|
December 18, 2016
Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics
Emmanuelle Bignon, Tomáš Dršata, Christophe Morell, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 65) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms
Vanessa Labet, Christophe Morell, Alejandro Toro-Labbé, et al.
Journal of Computational Chemistry
|
May 1, 2021
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde
Abdelmalek Khorief Nacereddine, Lynda Merzoud, Christophe Morell, et al.
Journal of Molecular Modeling
|
March 12, 2013
Is hyper-hardness more chemically relevant than expected?
Christophe Morell, André Grand, Alejandro Toro-Labbé, et al.
The Journal of Physical Chemistry Letters
|
June 24, 2021
A Dynamic View of the Interaction of Histone Tails with Clustered Abasic Sites in a Nucleosome Core Particle
Emmanuelle Bignon, Natacha Gillet, Tao Jiang, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2014
Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands
Frédéric Guégan, Pierre Mignon, Vincent Tognetti, et al.
Journal of Computational Chemistry
|
December 29, 2023
Predicting the activity of methoxyphenol derivatives antioxidants: II-Importance of the nature of the solvent on the mechanism, a DFT study
Roumaissa Khelifi, Nadjia Latelli, Zoulikha Charifi, et al.
Journal of Chemical Theory and Computation
|
April 1, 2026
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response
Guillaume Hoffmann, Olivier Aroule, Rémi Grincourt, et al.
Journal of Molecular Modeling
|
October 30, 2018
Combined QTAIM and ETS-NOCV investigation of the interactions in Cl<sub>n</sub>M[PhB(N<sup>t</sup>Bu)<sub>2</sub>] complexes with M = Si & Ge (n = 0), As & Sb (n = 1), Te & Po (n = 2)
Salima Lakehal, Aicha Lakehal, Malika Bouchagour, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 3, 2015
DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside
Emmanuelle Bignon, Hugo Gattuso, Christophe Morell, et al.
Nucleic Acids Research
|
December 18, 2016
Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics
Emmanuelle Bignon, Tomáš Dršata, Christophe Morell, et al.
Page
of 7