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Journal of Computational Chemistry
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March 31, 2007
A new computer program for QSAR-analysis: ARTE-QSAR
Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
December 19, 2008
Conceptual DFT properties-based 3D QSAR: analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
August 14, 2013
Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations
Patrick Bultinck, Sofie Van Damme, Andrés Cedillo
Journal of Chemical Theory and Computation
|
November 27, 2015
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
Sofie Van Damme, Patrick Bultinck, Stijn Fias
Journal of Computational Chemistry
|
July 17, 2007
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
June 25, 2010
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Journal of Molecular Graphics & Modelling
|
January 8, 2008
Prediction of blood-brain partitioning: a model based on ab initio calculated quantum chemical descriptors
Sofie Van Damme, Wilfried Langenaeker, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2012
Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2012
Structure and stability of cyclic peptide based nanotubes: a molecular dynamics study of the influence of amino acid composition
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 15, 2016
Can the current density map topology be extracted from the nucleus independent chemical shifts?
Sofie Van Damme, Guillaume Acke, Remco W A Havenith, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
March 31, 2007
A new computer program for QSAR-analysis: ARTE-QSAR
Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
December 19, 2008
Conceptual DFT properties-based 3D QSAR: analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
August 14, 2013
Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations
Patrick Bultinck, Sofie Van Damme, Andrés Cedillo
Journal of Chemical Theory and Computation
|
November 27, 2015
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
Sofie Van Damme, Patrick Bultinck, Stijn Fias
Journal of Computational Chemistry
|
July 17, 2007
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
June 25, 2010
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Journal of Molecular Graphics & Modelling
|
January 8, 2008
Prediction of blood-brain partitioning: a model based on ab initio calculated quantum chemical descriptors
Sofie Van Damme, Wilfried Langenaeker, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2012
Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2012
Structure and stability of cyclic peptide based nanotubes: a molecular dynamics study of the influence of amino acid composition
Ramadoss Vijayaraj, Sofie Van Damme, Patrick Bultinck, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 15, 2016
Can the current density map topology be extracted from the nucleus independent chemical shifts?
Sofie Van Damme, Guillaume Acke, Remco W A Havenith, et al.
Page
of 2