| 2008 |
|---|
| 10 | EE | Stijn Fias,
Sofie Van Damme,
Patrick Bultinck:
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons.
Journal of Computational Chemistry 29(3): 358-366 (2008) |
| 2007 |
|---|
| 9 | EE | Patrick Bultinck,
Robert Ponec,
Ramon Carbó-Dorca:
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach.
Journal of Computational Chemistry 28(1): 152-160 (2007) |
| 8 | EE | Sofie Van Damme,
Patrick Bultinck:
A new computer program for QSAR-analysis: ARTE-QSAR.
Journal of Computational Chemistry 28(11): 1924-1928 (2007) |
| 2006 |
|---|
| 7 | EE | Joaquim Chaves Martinez,
Joan M. Barroso,
Patrick Bultinck,
Ramon Carbó-Dorca:
Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM).
Journal of Chemical Information and Modeling 46(4): 1657-1665 (2006) |
| 6 | EE | Noel Ferro,
Ana Gallegos,
Patrick Bultinck,
Hans-Jörg Jacobsen,
Ramon Carbó-Dorca,
Thomas Reinard:
Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules.
Journal of Chemical Information and Modeling 46(4): 1751-1762 (2006) |
| 2003 |
|---|
| 5 | EE | Patrick Bultinck,
Ramon Carbó-Dorca:
Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms.
Journal of Chemical Information and Computer Sciences 43(1): 170-177 (2003) |
| 4 | EE | Patrick Bultinck,
Wilfried Langenaeker,
Ramon Carbó-Dorca,
Jan P. Tollenaere:
Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method.
Journal of Chemical Information and Computer Sciences 43(2): 422-428 (2003) |
| 3 | EE | Patrick Bultinck,
Tom Kuppens,
Xavier Gironés,
Ramon Carbó-Dorca:
Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry.
Journal of Chemical Information and Computer Sciences 43(4): 1143-1150 (2003) |
| 2 | EE | Patrick Bultinck,
Ramon Carbó-Dorca,
Christian Van Alsenoy:
Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.
Journal of Chemical Information and Computer Sciences 43(4): 1208-1217 (2003) |
| 2002 |
|---|
| 1 | EE | Patrick Bultinck,
Stijn Augustynen,
Hans W. Hilbers,
Ed E. Moret,
Jan P. Tollenaere:
Generate: A program for 3-D structure generation and conformational analysis of peptides and peptidomimetics.
Journal of Computational Chemistry 23(7): 746-754 (2002) |
