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Journal of Molecular Modeling
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September 8, 2018
The influence of correlation on (de)localization indices from a valence bond perspective
Guillaume Acke, Patrick Bultinck
Journal of Chemical Theory and Computation
|
November 24, 2015
Performance of DFT Methods in Momentum Space: Quantum Similarity Measures versus Moments of Momentum
Jelle Vandenbussche, Guillaume Acke, 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 Chemical Theory and Computation
|
May 25, 2022
Analyzing the Behavior of Spin Phases in External Magnetic Fields by Means of Spin-Constrained States
Laurent Lemmens, Xeno De Vriendt, Patrick Bultinck, 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.
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 Theory and Computation
|
August 2, 2023
Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix
Guillaume Acke, Daria Van Hende, Xeno De Vriendt, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 25, 2019
Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density
Guillaume Acke, Sofie Van Damme, Remco W A Havenith, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 16, 2024
Quantum Information Patterns Between Atoms in a Molecule
Daria Van Hende, Ruben Van der Stichelen, 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.
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of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Molecular Modeling
|
September 8, 2018
The influence of correlation on (de)localization indices from a valence bond perspective
Guillaume Acke, Patrick Bultinck
Journal of Chemical Theory and Computation
|
November 24, 2015
Performance of DFT Methods in Momentum Space: Quantum Similarity Measures versus Moments of Momentum
Jelle Vandenbussche, Guillaume Acke, 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 Chemical Theory and Computation
|
May 25, 2022
Analyzing the Behavior of Spin Phases in External Magnetic Fields by Means of Spin-Constrained States
Laurent Lemmens, Xeno De Vriendt, Patrick Bultinck, 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.
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 Theory and Computation
|
August 2, 2023
Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix
Guillaume Acke, Daria Van Hende, Xeno De Vriendt, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 25, 2019
Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density
Guillaume Acke, Sofie Van Damme, Remco W A Havenith, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 16, 2024
Quantum Information Patterns Between Atoms in a Molecule
Daria Van Hende, Ruben Van der Stichelen, 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