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Physical Chemistry Chemical Physics : PCCP
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March 28, 2014
Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
Vincent Tognetti, Laurent Joubert
The Journal of Physical Chemistry. A
|
June 13, 2009
Optimized GGA functional for proton transfer reactions
Vincent Tognetti, Carlo Adamo
The Journal of Chemical Physics
|
January 17, 2013
On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms
Vincent Tognetti, Laurent Joubert
Journal of Computational Chemistry
|
June 7, 2024
Exchange-correlation effects in interatomic energies for pure density functionals and their application to the molecular energy prediction
Vincent Tognetti, Laurent Joubert
The Journal of Physical Chemistry. A
|
May 10, 2011
On the influence of density functional approximations on some local Bader's atoms-in-molecules properties
Vincent Tognetti, Laurent Joubert
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 5, 2017
On Atoms-in-Molecules Energies from Kohn-Sham Calculations
Vincent Tognetti, Laurent Joubert
The Journal of Chemical Physics
|
February 8, 2016
Natural occupation numbers in two-electron quantum rings
Vincent Tognetti, Pierre-François Loos
The Journal of Chemical Physics
|
June 10, 2010
Communications: Making density functional theory and the quantum theory of atoms in molecules converse: a local approach
Vincent Tognetti, Laurent Joubert, Carlo Adamo
The Journal of Physical Chemistry. A
|
March 3, 2020
Electrophilicity Indices and Halogen Bonds: Some New Alternatives to the Molecular Electrostatic Potential
Guillaume Hoffmann, Vincent Tognetti, Laurent Joubert
Journal of Computational Chemistry
|
February 5, 2015
Quantifying electro/nucleophilicity by partitioning the dual descriptor
Vincent Tognetti, Christophe Morell, Laurent Joubert
Page
of 7
Search research articles
Search
Showing results (1-10 of 63) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
March 28, 2014
Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue
Vincent Tognetti, Laurent Joubert
The Journal of Physical Chemistry. A
|
June 13, 2009
Optimized GGA functional for proton transfer reactions
Vincent Tognetti, Carlo Adamo
The Journal of Chemical Physics
|
January 17, 2013
On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms
Vincent Tognetti, Laurent Joubert
Journal of Computational Chemistry
|
June 7, 2024
Exchange-correlation effects in interatomic energies for pure density functionals and their application to the molecular energy prediction
Vincent Tognetti, Laurent Joubert
The Journal of Physical Chemistry. A
|
May 10, 2011
On the influence of density functional approximations on some local Bader's atoms-in-molecules properties
Vincent Tognetti, Laurent Joubert
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 5, 2017
On Atoms-in-Molecules Energies from Kohn-Sham Calculations
Vincent Tognetti, Laurent Joubert
The Journal of Chemical Physics
|
February 8, 2016
Natural occupation numbers in two-electron quantum rings
Vincent Tognetti, Pierre-François Loos
The Journal of Chemical Physics
|
June 10, 2010
Communications: Making density functional theory and the quantum theory of atoms in molecules converse: a local approach
Vincent Tognetti, Laurent Joubert, Carlo Adamo
The Journal of Physical Chemistry. A
|
March 3, 2020
Electrophilicity Indices and Halogen Bonds: Some New Alternatives to the Molecular Electrostatic Potential
Guillaume Hoffmann, Vincent Tognetti, Laurent Joubert
Journal of Computational Chemistry
|
February 5, 2015
Quantifying electro/nucleophilicity by partitioning the dual descriptor
Vincent Tognetti, Christophe Morell, Laurent Joubert
Page
of 7