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Frank De Proft

Showing results (1-10 of 211) with videos related to

Pageof 22
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Journal of Computational Chemistry|September 2, 2022
External fields in conceptual density functional theoryPaul Geerlings, Frank De Proft
The Journal of Chemical Physics|July 28, 2007
Modeling temporary anions in density functional theory: calculation of the Fukui functionDavid J Tozer, Frank De Proft
The Journal of Physical Chemistry. A|July 13, 2006
Computation of the hardness and the problem of negative electron affinities in density functional theoryDavid J Tozer, Frank De Proft
Journal of Chemical Theory and Computation|November 27, 2015
Molecular Orbital-Averaged Fukui Function for the Reactivity Description of Alkaline Earth Metal Oxide ClustersNick Sablon, Frank De Proft, Paul Geerlings
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 19, 2012
Viability of Möbius topologies in [26]- and [28]hexaphyrinsMercedes Alonso, Paul Geerlings, Frank de Proft
Physical Chemistry Chemical Physics : PCCP|September 8, 2010
A density functional theory study on ligand additive effects on redox potentialsJan Moens, Frank De Proft, Paul Geerlings
The Journal of Chemical Physics|October 29, 2005
Hardness and softness reactivity kernels within the spin-polarized density-functional theoryEduardo Chamorro, Frank De Proft, Paul Geerlings
The Journal of Physical Chemistry. A|February 10, 2015
The noble gases: how their electronegativity and hardness determines their chemistryJonathan Furtado, Frank De Proft, Paul Geerlings
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 21, 2012
Topology switching in [32]heptaphyrins controlled by solvent, protonation, and meso substituentsMercedes Alonso, Paul Geerlings, Frank De Proft
The Journal of Physical Chemistry. A|July 13, 2006
Gas-phase stability of tetrahedral multiply charged anions: a conceptual and computational DFT studyGoedele Roos, Frank De Proft, Paul Geerlings
Pageof 22

Showing results (1-10 of 211) with videos related to

Sort By:
Pageof 22
Journal of Computational Chemistry|September 2, 2022
External fields in conceptual density functional theoryPaul Geerlings, Frank De Proft
The Journal of Chemical Physics|July 28, 2007
Modeling temporary anions in density functional theory: calculation of the Fukui functionDavid J Tozer, Frank De Proft
The Journal of Physical Chemistry. A|July 13, 2006
Computation of the hardness and the problem of negative electron affinities in density functional theoryDavid J Tozer, Frank De Proft
Journal of Chemical Theory and Computation|November 27, 2015
Molecular Orbital-Averaged Fukui Function for the Reactivity Description of Alkaline Earth Metal Oxide ClustersNick Sablon, Frank De Proft, Paul Geerlings
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 19, 2012
Viability of Möbius topologies in [26]- and [28]hexaphyrinsMercedes Alonso, Paul Geerlings, Frank de Proft
Physical Chemistry Chemical Physics : PCCP|September 8, 2010
A density functional theory study on ligand additive effects on redox potentialsJan Moens, Frank De Proft, Paul Geerlings
The Journal of Chemical Physics|October 29, 2005
Hardness and softness reactivity kernels within the spin-polarized density-functional theoryEduardo Chamorro, Frank De Proft, Paul Geerlings
The Journal of Physical Chemistry. A|February 10, 2015
The noble gases: how their electronegativity and hardness determines their chemistryJonathan Furtado, Frank De Proft, Paul Geerlings
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 21, 2012
Topology switching in [32]heptaphyrins controlled by solvent, protonation, and meso substituentsMercedes Alonso, Paul Geerlings, Frank De Proft
The Journal of Physical Chemistry. A|July 13, 2006
Gas-phase stability of tetrahedral multiply charged anions: a conceptual and computational DFT studyGoedele Roos, Frank De Proft, Paul Geerlings
Pageof 22