Patrick Bultinck
Orcid: 0000-0003-2766-2672
According to our database1,
Patrick Bultinck
authored at least 22 papers
between 2002 and 2022.
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Bibliography
2022
Uncovering Clar's aromatic -sextet rule in the Hubbard model using Maximum Probability Domain Partitions.
J. Comput. Chem., 2022
2018
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions.
J. Comput. Chem., 2018
2013
J. Comput. Chem., 2013
Bond fukui indices: Comparison of frozen molecular orbital and finite differences through mulliken populations.
J. Comput. Chem., 2013
2011
Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density.
J. Comput. Chem., 2011
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices.
J. Comput. Chem., 2011
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss.
J. Comput. Chem., 2011
A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix.
Comput. Phys. Commun., 2011
Comput. Phys. Commun., 2011
2010
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: Proof of further nonlocality.
J. Comput. Chem., 2010
2009
Conceptual DFT properties-based 3D QSAR: Analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
J. Comput. Chem., 2009
2008
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons.
J. Comput. Chem., 2008
2007
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach.
J. Comput. Chem., 2007
2006
Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM).
J. Chem. Inf. Model., 2006
Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules.
J. Chem. Inf. Model., 2006
2003
Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method.
J. Chem. Inf. Comput. Sci., 2003
Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry.
J. Chem. Inf. Comput. Sci., 2003
Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.
J. Chem. Inf. Comput. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003
2002
Generate: A program for 3-D structure generation and conformational analysis of peptides and peptidomimetics.
J. Comput. Chem., 2002