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The Journal of Physical Chemistry. A
|
April 28, 2010
Influence of atoms-in-molecules methods on shared-electron distribution indices and domain-averaged Fermi holes
Patrick Bultinck, David L Cooper, Robert Ponec
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 Computational Chemistry
|
May 25, 2026
Toy Models Reveal Intrinsic Biases in NICS: Insights to Verify NICS Interpretations
Emiel Vanden Berghe, Patrick Bultinck, Guillaume Acke
Journal of Molecular Modeling
|
November 23, 2017
Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Journal of Chemical Information and Computer Sciences
|
July 23, 2003
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarity
Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy
The Journal of Chemical Physics
|
September 8, 2014
Deriving the Hirshfeld partitioning using distance metrics
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes
Patrick Bultinck, David L Cooper, Dimitri Van Neck
Communications Chemistry
|
July 12, 2023
Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning
Tom Vermeyen, Ana Cunha, Patrick Bultinck, et al.
The Journal of Physical Chemistry. A
|
September 30, 2008
Interplay between hydrogen-bond formation and multicenter pi-electron delocalization: intramolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
The Journal of Physical Chemistry. A
|
August 2, 2008
Interplay between hydrogen bond formation and multicenter pi-electron delocalization: intermolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
Page
of 14
Search research articles
Search
Showing results (21-30 of 134) with videos related to
Sort By:
Page
of 14
The Journal of Physical Chemistry. A
|
April 28, 2010
Influence of atoms-in-molecules methods on shared-electron distribution indices and domain-averaged Fermi holes
Patrick Bultinck, David L Cooper, Robert Ponec
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 Computational Chemistry
|
May 25, 2026
Toy Models Reveal Intrinsic Biases in NICS: Insights to Verify NICS Interpretations
Emiel Vanden Berghe, Patrick Bultinck, Guillaume Acke
Journal of Molecular Modeling
|
November 23, 2017
Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Journal of Chemical Information and Computer Sciences
|
July 23, 2003
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarity
Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy
The Journal of Chemical Physics
|
September 8, 2014
Deriving the Hirshfeld partitioning using distance metrics
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes
Patrick Bultinck, David L Cooper, Dimitri Van Neck
Communications Chemistry
|
July 12, 2023
Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning
Tom Vermeyen, Ana Cunha, Patrick Bultinck, et al.
The Journal of Physical Chemistry. A
|
September 30, 2008
Interplay between hydrogen-bond formation and multicenter pi-electron delocalization: intramolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
The Journal of Physical Chemistry. A
|
August 2, 2008
Interplay between hydrogen bond formation and multicenter pi-electron delocalization: intermolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
Page
of 14