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Journal of Computational Chemistry
|
August 31, 2010
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices
Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, et al.
Journal of Computational Chemistry
|
February 18, 2011
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss
Dieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, et al.
The Journal of Physical Chemistry. A
|
August 25, 2006
Intermolecular association of tetrahydrofuran-2-carboxylic acid in solution: a vibrational circular dichroism study
Tom Kuppens, Wouter Herrebout, Benjamin van der Veken, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 13, 2008
Solvent effects on IR and VCD spectra of natural products: an experimental and theoretical VCD study of pulegone
Elke Debie, Patrick Bultinck, Wouter Herrebout, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 30, 2014
Ring currents in benzo- and benzocyclobutadieno-annelated biphenylene derivatives
Slavko Radenković, Jelena Tošović, Remco W A Havenith, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Statistical Validation of Absolute Configuration Assignment in Vibrational Optical Activity
Jelle Vandenbussche, Patrick Bultinck, Anna K Przybył, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2012
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods
Patrick Bultinck, Dimitri Van Neck, Guillaume Acke, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2011
The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
Patrick Bultinck, Dorien Clarisse, Paul W Ayers, et al.
The Journal of Chemical Physics
|
February 19, 2026
The role of the parameter landscape in Hartree-Fock quantum computing benchmarks
Ruben Van der Stichelen, Robbe Bohy, Patrick Bultinck, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2003
Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization method
Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, et al.
Page
of 14
Search research articles
Search
Showing results (41-50 of 134) with videos related to
Sort By:
Page
of 14
Journal of Computational Chemistry
|
August 31, 2010
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices
Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, et al.
Journal of Computational Chemistry
|
February 18, 2011
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss
Dieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, et al.
The Journal of Physical Chemistry. A
|
August 25, 2006
Intermolecular association of tetrahydrofuran-2-carboxylic acid in solution: a vibrational circular dichroism study
Tom Kuppens, Wouter Herrebout, Benjamin van der Veken, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 13, 2008
Solvent effects on IR and VCD spectra of natural products: an experimental and theoretical VCD study of pulegone
Elke Debie, Patrick Bultinck, Wouter Herrebout, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 30, 2014
Ring currents in benzo- and benzocyclobutadieno-annelated biphenylene derivatives
Slavko Radenković, Jelena Tošović, Remco W A Havenith, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Statistical Validation of Absolute Configuration Assignment in Vibrational Optical Activity
Jelle Vandenbussche, Patrick Bultinck, Anna K Przybył, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2012
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods
Patrick Bultinck, Dimitri Van Neck, Guillaume Acke, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2011
The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
Patrick Bultinck, Dorien Clarisse, Paul W Ayers, et al.
The Journal of Chemical Physics
|
February 19, 2026
The role of the parameter landscape in Hartree-Fock quantum computing benchmarks
Ruben Van der Stichelen, Robbe Bohy, Patrick Bultinck, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2003
Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization method
Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, et al.
Page
of 14