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Christian Van Alsenoy

Showing results (1-10 of 89) with videos related to

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Journal of Computational Chemistry|July 31, 2014
Hydrogen-hydrogen interaction in planar biphenyl: a theoretical study based on the interacting quantum atoms and Hirshfeld atomic energy partitioning methodsKiamars Eskandari, Christian Van Alsenoy
The Journal of Chemical Physics|October 26, 2010
Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clustersAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation|December 2, 2015
Influence of Structure on the Polarizability of Hydrated Methane Sulfonic Acid ClustersAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
Molecules (Basel, Switzerland)|March 19, 2020
An Overview of Self-Consistent Field Calculations Within Finite Basis SetsSusi Lehtola, Frank Blockhuys, Christian Van Alsenoy
The Journal of Chemical Physics|August 7, 2009
Local softness, softness dipole, and polarizabilities of functional groups: application to the side chains of the 20 amino acidsAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
The Journal of Physical Chemistry. A|March 31, 2007
Molecular quantum similarity and chirality: enantiomers with two asymmetric centraSara Janssens, Christian Van Alsenoy, Paul Geerlings
Journal of Chemical Theory and Computation|December 2, 2015
Effect of Structural Parameters on the Polarizabilities of Methanol Clusters:  A Hirshfeld StudyAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Topological study of intramolecular hydrogen bonding in beta-hydroxyethylperoxy radical and beta-hydroxyethoxy radical along its dissociation pathwayMarcos Mandado, Ricardo A Mosquera, Christian Van Alsenoy
The Journal of Physical Chemistry. A|July 13, 2006
Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance modelMarcos Mandado, Christian Van Alsenoy, Ricardo A Mosquera
Journal of Chemical Information and Computer Sciences|July 23, 2003
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarityPatrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy
Pageof 9

Showing results (1-10 of 89) with videos related to

Sort By:
Pageof 9
Journal of Computational Chemistry|July 31, 2014
Hydrogen-hydrogen interaction in planar biphenyl: a theoretical study based on the interacting quantum atoms and Hirshfeld atomic energy partitioning methodsKiamars Eskandari, Christian Van Alsenoy
The Journal of Chemical Physics|October 26, 2010
Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clustersAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation|December 2, 2015
Influence of Structure on the Polarizability of Hydrated Methane Sulfonic Acid ClustersAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
Molecules (Basel, Switzerland)|March 19, 2020
An Overview of Self-Consistent Field Calculations Within Finite Basis SetsSusi Lehtola, Frank Blockhuys, Christian Van Alsenoy
The Journal of Chemical Physics|August 7, 2009
Local softness, softness dipole, and polarizabilities of functional groups: application to the side chains of the 20 amino acidsAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
The Journal of Physical Chemistry. A|March 31, 2007
Molecular quantum similarity and chirality: enantiomers with two asymmetric centraSara Janssens, Christian Van Alsenoy, Paul Geerlings
Journal of Chemical Theory and Computation|December 2, 2015
Effect of Structural Parameters on the Polarizabilities of Methanol Clusters:  A Hirshfeld StudyAlisa Krishtal, Patrick Senet, Christian Van Alsenoy
Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Topological study of intramolecular hydrogen bonding in beta-hydroxyethylperoxy radical and beta-hydroxyethoxy radical along its dissociation pathwayMarcos Mandado, Ricardo A Mosquera, Christian Van Alsenoy
The Journal of Physical Chemistry. A|July 13, 2006
Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance modelMarcos Mandado, Christian Van Alsenoy, Ricardo A Mosquera
Journal of Chemical Information and Computer Sciences|July 23, 2003
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarityPatrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy
Pageof 9