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Michel Waroquier

Showing results (1-10 of 128) with videos related to

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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|November 9, 2007
Effect of temperature on the EPR properties of a rhamnose alkoxy radical: a DFT molecular dynamics studyEwald Pauwels, Toon Verstraelen, Michel Waroquier
The Journal of Chemical Physics|August 7, 2009
The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparisonToon Verstraelen, Veronique Van Speybroeck, Michel Waroquier
The Journal of Physical Chemistry. A|May 19, 2006
Study of rhamnose radicals in the solid state adopting a density functional theory cluster approachEwald Pauwels, Veronique Van Speybroeck, Michel Waroquier
The Journal of Physical Chemistry. A|December 5, 2008
Bond dissociation enthalpies of large aromatic carbon-centered radicalsKaren Hemelsoet, Veronique Van Speybroeck, Michel Waroquier
Physical Chemistry Chemical Physics : PCCP|June 25, 2009
Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediatesDavid Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 21, 2006
Radiation-induced radicals in alpha-D-glucose: Comparing DFT cluster calculations with magnetic resonance experimentsEwald Pauwels, Veronique Van Speybroeck, Michel Waroquier
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 17, 2008
A DFT-based investigation of hydrogen abstraction reactions from methylated polycyclic aromatic hydrocarbonsKaren Hemelsoet, Veronique Van Speybroeck, Michel Waroquier
Journal of the American Chemical Society|July 30, 2004
Efficient use of bifunctional acid-base properties for alkylammonium formation in amine-substituted zeolitesDavid Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 22, 2006
Hydrocarbon bond dissociation enthalpies: from substituted aromatics to large polyaromaticsVeronique Van Speybroeck, Guy B Marin, Michel Waroquier
Physical Chemistry Chemical Physics : PCCP|September 20, 2011
Cluster or periodic, static or dynamic--the challenge of calculating the g tensor of the solid-state glycine radicalEwald Pauwels, James Asher, Martin Kaupp, et al.
Pageof 13

Showing results (1-10 of 128) with videos related to

Sort By:
Pageof 13
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|November 9, 2007
Effect of temperature on the EPR properties of a rhamnose alkoxy radical: a DFT molecular dynamics studyEwald Pauwels, Toon Verstraelen, Michel Waroquier
The Journal of Chemical Physics|August 7, 2009
The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparisonToon Verstraelen, Veronique Van Speybroeck, Michel Waroquier
The Journal of Physical Chemistry. A|May 19, 2006
Study of rhamnose radicals in the solid state adopting a density functional theory cluster approachEwald Pauwels, Veronique Van Speybroeck, Michel Waroquier
The Journal of Physical Chemistry. A|December 5, 2008
Bond dissociation enthalpies of large aromatic carbon-centered radicalsKaren Hemelsoet, Veronique Van Speybroeck, Michel Waroquier
Physical Chemistry Chemical Physics : PCCP|June 25, 2009
Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediatesDavid Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 21, 2006
Radiation-induced radicals in alpha-D-glucose: Comparing DFT cluster calculations with magnetic resonance experimentsEwald Pauwels, Veronique Van Speybroeck, Michel Waroquier
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 17, 2008
A DFT-based investigation of hydrogen abstraction reactions from methylated polycyclic aromatic hydrocarbonsKaren Hemelsoet, Veronique Van Speybroeck, Michel Waroquier
Journal of the American Chemical Society|July 30, 2004
Efficient use of bifunctional acid-base properties for alkylammonium formation in amine-substituted zeolitesDavid Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 22, 2006
Hydrocarbon bond dissociation enthalpies: from substituted aromatics to large polyaromaticsVeronique Van Speybroeck, Guy B Marin, Michel Waroquier
Physical Chemistry Chemical Physics : PCCP|September 20, 2011
Cluster or periodic, static or dynamic--the challenge of calculating the g tensor of the solid-state glycine radicalEwald Pauwels, James Asher, Martin Kaupp, et al.
Pageof 13