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Jean-Paul Malrieu

Showing results (1-10 of 54) with videos related to

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Physical Chemistry Chemical Physics : PCCP|October 6, 2017
Spreading out spin density in polyphenalenyl radicalsGeorges Trinquier, Jean-Paul Malrieu
Angewandte Chemie (International Ed. in English)|November 2, 2019
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part A. Stage SettingRoald Hoffmann, Jean-Paul Malrieu
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2014
Kekulé versus Lewis: when aromaticity prevents electron pairing and imposes polyradical characterGeorges Trinquier, Jean-Paul Malrieu
Angewandte Chemie (International Ed. in English)|November 2, 2019
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part B. The March of Simulation, for Better or WorseRoald Hoffmann, Jean-Paul Malrieu
The Journal of Chemical Physics|June 10, 2016
Communication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicalsJean-Paul Malrieu, Georges Trinquier
The Journal of Chemical Physics|July 23, 2004
A local approach to delocalized electronic systems: semilocal evaluation of the cohesive energies of tight-binding HamiltoniansJean-Paul Malrieu, Vincent Robert
The Journal of Physical Chemistry. A|October 18, 2008
Aromaticity: an ab initio evaluation of the properly cyclic delocalization energy and the pi-delocalization energy distortivity of benzeneCelestino Angeli, Jean-Paul Malrieu
Angewandte Chemie (International Ed. in English)|November 2, 2019
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part C. Toward ConsilienceRoald Hoffmann, Jean-Paul Malrieu
The Journal of Physical Chemistry. A|July 31, 2012
A recipe for geometry optimization of diradicalar singlet states from broken-symmetry calculationsJean-Paul Malrieu, Georges Trinquier
The Journal of Physical Chemistry. A|December 17, 2024
In Search of Entangled Singlet Pure DiradicalsGeorges Trinquier, Jean-Paul Malrieu
Pageof 6

Showing results (1-10 of 54) with videos related to

Sort By:
Pageof 6
Physical Chemistry Chemical Physics : PCCP|October 6, 2017
Spreading out spin density in polyphenalenyl radicalsGeorges Trinquier, Jean-Paul Malrieu
Angewandte Chemie (International Ed. in English)|November 2, 2019
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part A. Stage SettingRoald Hoffmann, Jean-Paul Malrieu
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2014
Kekulé versus Lewis: when aromaticity prevents electron pairing and imposes polyradical characterGeorges Trinquier, Jean-Paul Malrieu
Angewandte Chemie (International Ed. in English)|November 2, 2019
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part B. The March of Simulation, for Better or WorseRoald Hoffmann, Jean-Paul Malrieu
The Journal of Chemical Physics|June 10, 2016
Communication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicalsJean-Paul Malrieu, Georges Trinquier
The Journal of Chemical Physics|July 23, 2004
A local approach to delocalized electronic systems: semilocal evaluation of the cohesive energies of tight-binding HamiltoniansJean-Paul Malrieu, Vincent Robert
The Journal of Physical Chemistry. A|October 18, 2008
Aromaticity: an ab initio evaluation of the properly cyclic delocalization energy and the pi-delocalization energy distortivity of benzeneCelestino Angeli, Jean-Paul Malrieu
Angewandte Chemie (International Ed. in English)|November 2, 2019
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part C. Toward ConsilienceRoald Hoffmann, Jean-Paul Malrieu
The Journal of Physical Chemistry. A|July 31, 2012
A recipe for geometry optimization of diradicalar singlet states from broken-symmetry calculationsJean-Paul Malrieu, Georges Trinquier
The Journal of Physical Chemistry. A|December 17, 2024
In Search of Entangled Singlet Pure DiradicalsGeorges Trinquier, Jean-Paul Malrieu
Pageof 6