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F De Proft

Showing results (21-30 of 37) with videos related to

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The Journal of Organic Chemistry|June 9, 2001
Theoretical Study of [2 + 1] cycloaddition of CO and CS to acetylenes forming cyclopropenones and cyclopropenethionesL T Nguyen, F De Proft, M T Nguyen, et al.
The Journal of Chemical Physics|August 22, 2008
Dual descriptors within the framework of spin-polarized density functional theoryE Chamorro, P Pérez, M Duque, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Relative stability of mixed [3 + 1] Tc and Re complexes: a computational and conceptual DFT studyB Safi, J Mertens, F De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2010
On the applicability of local softness and hardnessM Torrent-Sucarrat, F De Proft, P W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP|May 9, 2017
Molecular dynamics simulations of the structure and the morphology of graphene/polymer nanocompositesS Güryel, M Walker, P Geerlings, et al.
The Journal of Chemical Physics|March 10, 2015
Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilitiesT Stuyver, S Fias, F De Proft, et al.
Journal of Computational Chemistry|July 13, 2002
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron densityF De Proft, C Van Alsenoy, A Peeters, et al.
The Journal of Chemical Physics|December 17, 2009
A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenesB Hajgató, D Szieberth, P Geerlings, et al.
The Journal of Chemical Physics|December 3, 2008
Maps of current density using density-functional methodsA Soncini, A M Teale, T Helgaker, et al.
Journal of Computational Chemistry|February 21, 2003
Hirshfeld partitioning of the electron density: atomic dipoles and their relation with functional group propertiesF De Proft, R Vivas-Reyes, A Peeters, et al.
Pageof 4

Showing results (21-30 of 37) with videos related to

Sort By:
Pageof 4
The Journal of Organic Chemistry|June 9, 2001
Theoretical Study of [2 + 1] cycloaddition of CO and CS to acetylenes forming cyclopropenones and cyclopropenethionesL T Nguyen, F De Proft, M T Nguyen, et al.
The Journal of Chemical Physics|August 22, 2008
Dual descriptors within the framework of spin-polarized density functional theoryE Chamorro, P Pérez, M Duque, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Relative stability of mixed [3 + 1] Tc and Re complexes: a computational and conceptual DFT studyB Safi, J Mertens, F De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2010
On the applicability of local softness and hardnessM Torrent-Sucarrat, F De Proft, P W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP|May 9, 2017
Molecular dynamics simulations of the structure and the morphology of graphene/polymer nanocompositesS Güryel, M Walker, P Geerlings, et al.
The Journal of Chemical Physics|March 10, 2015
Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilitiesT Stuyver, S Fias, F De Proft, et al.
Journal of Computational Chemistry|July 13, 2002
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron densityF De Proft, C Van Alsenoy, A Peeters, et al.
The Journal of Chemical Physics|December 17, 2009
A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenesB Hajgató, D Szieberth, P Geerlings, et al.
The Journal of Chemical Physics|December 3, 2008
Maps of current density using density-functional methodsA Soncini, A M Teale, T Helgaker, et al.
Journal of Computational Chemistry|February 21, 2003
Hirshfeld partitioning of the electron density: atomic dipoles and their relation with functional group propertiesF De Proft, R Vivas-Reyes, A Peeters, et al.
Pageof 4