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F De Proft

Showing results (11-20 of 37) with videos related to

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The Journal of Chemical Physics|June 30, 2007
Quantum similarity study of atoms: a bridge between hardness and similarity indicesA Borgoo, M Torrent-Sucarrat, F De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|March 1, 2008
Influence of confinement on atomic and molecular reactivity indicators in DFTA Borgoo, D J Tozer, P Geerlings, et al.
Physical Chemistry Chemical Physics : PCCP|July 28, 2011
A new approach to local hardnessT Gál, P Geerlings, F De Proft, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenesF De Proft, S Fias, C Van Alsenoy, et al.
Bioorganic & Medicinal Chemistry|May 10, 2005
Theoretical study revealing the functioning of a novel combination of catalytic motifs in histone deacetylaseK Vanommeslaeghe, F De Proft, S Loverix, et al.
The Journal of Chemical Physics|February 9, 2007
Quantum similarity study of atomic density functions: insights from information theory and the role of relativistic effectsA Borgoo, M Godefroid, P Indelicato, et al.
Dalton Transactions (Cambridge, England : 2003)|September 25, 2015
Addition of in situ reduced amidinato-methylaluminium chloride to acetylenesT Chlupatý, J Turek, F De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|January 11, 2014
Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approachA M Teale, F De Proft, P Geerlings, et al.
The Journal of Chemical Physics|July 23, 2004
On the importance of the "density per particle" (shape function) in the density functional theoryF De Proft, P W Ayers, K D Sen, et al.
The Journal of Chemical Physics|December 3, 2008
A benchmark theoretical study of the electron affinities of benzene and linear acenesB Hajgató, M S Deleuze, D J Tozer, et al.
Pageof 4

Showing results (11-20 of 37) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|June 30, 2007
Quantum similarity study of atoms: a bridge between hardness and similarity indicesA Borgoo, M Torrent-Sucarrat, F De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|March 1, 2008
Influence of confinement on atomic and molecular reactivity indicators in DFTA Borgoo, D J Tozer, P Geerlings, et al.
Physical Chemistry Chemical Physics : PCCP|July 28, 2011
A new approach to local hardnessT Gál, P Geerlings, F De Proft, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenesF De Proft, S Fias, C Van Alsenoy, et al.
Bioorganic & Medicinal Chemistry|May 10, 2005
Theoretical study revealing the functioning of a novel combination of catalytic motifs in histone deacetylaseK Vanommeslaeghe, F De Proft, S Loverix, et al.
The Journal of Chemical Physics|February 9, 2007
Quantum similarity study of atomic density functions: insights from information theory and the role of relativistic effectsA Borgoo, M Godefroid, P Indelicato, et al.
Dalton Transactions (Cambridge, England : 2003)|September 25, 2015
Addition of in situ reduced amidinato-methylaluminium chloride to acetylenesT Chlupatý, J Turek, F De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|January 11, 2014
Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approachA M Teale, F De Proft, P Geerlings, et al.
The Journal of Chemical Physics|July 23, 2004
On the importance of the "density per particle" (shape function) in the density functional theoryF De Proft, P W Ayers, K D Sen, et al.
The Journal of Chemical Physics|December 3, 2008
A benchmark theoretical study of the electron affinities of benzene and linear acenesB Hajgató, M S Deleuze, D J Tozer, et al.
Pageof 4