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Chemical Reviews
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November 17, 2001
Conceptual and computational DFT in the study of aromaticity
F De Proft, P Geerlings
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2008
Conceptual DFT: the chemical relevance of higher response functions
P Geerlings, F De Proft
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2014
Exploring the structure-aromaticity relationship in Hückel and Möbius N-fused pentaphyrins using DFT
M Alonso, P Geerlings, F De Proft
Chemical Reviews
|
May 15, 2003
Conceptual density functional theory
P Geerlings, F De Proft, W Langenaeker
The Journal of Chemical Physics
|
September 17, 2005
Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory
E Chamorro, F De Proft, P Geerlings
The Journal of Chemical Physics
|
February 8, 2006
Philicity indices within the spin-polarized density-functional theory framework
E Chamorro, P Pérez, F De Proft, et al.
The Journal of Physical Chemistry. A
|
July 21, 2006
A computational and conceptual density functional theory study of the properties of Re and Tc tricarbonyl complexes
B Safi, J Mertens, F De Proft, et al.
The Journal of Organic Chemistry
|
January 25, 2008
Theoretical study of the orientation rules in photonucleophilic aromatic substitutions
B Pintér, F De Proft, T Veszprémi, et al.
Chemical Science
|
December 9, 2017
Revealing the thermodynamic driving force for ligand-based reductions in quinoids; conceptual rules for designing redox active and non-innocent ligands
G Skara, B Pinter, P Geerlings, et al.
The Journal of Chemical Physics
|
June 24, 2010
Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theory
T Gál, P W Ayers, F De Proft, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Chemical Reviews
|
November 17, 2001
Conceptual and computational DFT in the study of aromaticity
F De Proft, P Geerlings
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2008
Conceptual DFT: the chemical relevance of higher response functions
P Geerlings, F De Proft
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2014
Exploring the structure-aromaticity relationship in Hückel and Möbius N-fused pentaphyrins using DFT
M Alonso, P Geerlings, F De Proft
Chemical Reviews
|
May 15, 2003
Conceptual density functional theory
P Geerlings, F De Proft, W Langenaeker
The Journal of Chemical Physics
|
September 17, 2005
Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory
E Chamorro, F De Proft, P Geerlings
The Journal of Chemical Physics
|
February 8, 2006
Philicity indices within the spin-polarized density-functional theory framework
E Chamorro, P Pérez, F De Proft, et al.
The Journal of Physical Chemistry. A
|
July 21, 2006
A computational and conceptual density functional theory study of the properties of Re and Tc tricarbonyl complexes
B Safi, J Mertens, F De Proft, et al.
The Journal of Organic Chemistry
|
January 25, 2008
Theoretical study of the orientation rules in photonucleophilic aromatic substitutions
B Pintér, F De Proft, T Veszprémi, et al.
Chemical Science
|
December 9, 2017
Revealing the thermodynamic driving force for ligand-based reductions in quinoids; conceptual rules for designing redox active and non-innocent ligands
G Skara, B Pinter, P Geerlings, et al.
The Journal of Chemical Physics
|
June 24, 2010
Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theory
T Gál, P W Ayers, F De Proft, et al.
Page
of 4