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Journal of Computational Chemistry
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February 5, 2015
Quantifying electro/nucleophilicity by partitioning the dual descriptor
Vincent Tognetti, Christophe Morell, Laurent Joubert
Journal of Molecular Modeling
|
June 27, 2024
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
Guillaume Hoffmann, Henry Chermette, Christophe Morell
Journal of Computational Chemistry
|
April 21, 2021
The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal-organic Mo-Oxo catalyst
Jorge I Martínez-Araya, Christophe Morell
The Journal of Physical Chemistry. A
|
July 15, 2006
New dual descriptor for chemical reactivity
Christophe Morell, André Grand, Alejandro Toro-Labbé
The Journal of Physical Chemistry. A
|
November 13, 2019
Substituent Effect on the Himbert Intramolecular Arene/Allene Diels-Alder Reaction: NBO Analysis and State Specific Dual Descriptors
Lynda Merzoud, Amar Saal, Christophe Morell, et al.
Journal of Computational Chemistry
|
May 31, 2021
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints
Lynda Merzoud, Frédéric Guégan, Henry Chermette, et al.
The Journal of Physical Chemistry. A
|
September 3, 2025
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
Olivier Aroule, Christophe Morell, Henry Chermette, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness
Christophe Morell, Vanessa Labet, André Grand, et al.
The Journal of Physical Chemistry. A
|
October 22, 2008
Theoretical study of cytosine deamination from the perspective of the reaction force analysis
Vanessa Labet, Christophe Morell, André Grand, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2011
Application of the electron density force to chemical reactivity
Christophe Morell, Paul W Ayers, André Grand, et al.
Page
of 7
Search research articles
Search
Showing results (1-10 of 65) with videos related to
Sort By:
Page
of 7
Journal of Computational Chemistry
|
February 5, 2015
Quantifying electro/nucleophilicity by partitioning the dual descriptor
Vincent Tognetti, Christophe Morell, Laurent Joubert
Journal of Molecular Modeling
|
June 27, 2024
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
Guillaume Hoffmann, Henry Chermette, Christophe Morell
Journal of Computational Chemistry
|
April 21, 2021
The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal-organic Mo-Oxo catalyst
Jorge I Martínez-Araya, Christophe Morell
The Journal of Physical Chemistry. A
|
July 15, 2006
New dual descriptor for chemical reactivity
Christophe Morell, André Grand, Alejandro Toro-Labbé
The Journal of Physical Chemistry. A
|
November 13, 2019
Substituent Effect on the Himbert Intramolecular Arene/Allene Diels-Alder Reaction: NBO Analysis and State Specific Dual Descriptors
Lynda Merzoud, Amar Saal, Christophe Morell, et al.
Journal of Computational Chemistry
|
May 31, 2021
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints
Lynda Merzoud, Frédéric Guégan, Henry Chermette, et al.
The Journal of Physical Chemistry. A
|
September 3, 2025
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
Olivier Aroule, Christophe Morell, Henry Chermette, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness
Christophe Morell, Vanessa Labet, André Grand, et al.
The Journal of Physical Chemistry. A
|
October 22, 2008
Theoretical study of cytosine deamination from the perspective of the reaction force analysis
Vanessa Labet, Christophe Morell, André Grand, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2011
Application of the electron density force to chemical reactivity
Christophe Morell, Paul W Ayers, André Grand, et al.
Page
of 7