Showing results (1-10 of 155) with videos related to
Sort By:
Pageof 16
Journal of Chemical Information and Computer Sciences|January 28, 2003
Molecular quantum similarity matrix based clustering of molecules using dendrogramsPatrick Bultinck, Ramon Carbó-DorcaJournal of Computational Chemistry|October 27, 2006
Aromaticity in linear polyacenes: generalized population analysis and molecular quantum similarity approachPatrick Bultinck, Robert Ponec, Ramon Carbó-DorcaJournal of Chemical Information and Computer Sciences|July 23, 2003
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarityPatrick Bultinck, Ramon Carbó-Dorca, Christian Van AlsenoyJournal of Chemical Information and Computer Sciences|July 23, 2003
Quantum similarity superposition algorithm (QSSA): a consistent scheme for molecular alignment and molecular similarity based on quantum chemistryPatrick Bultinck, Tom Kuppens, Xavier Gironés, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization methodPatrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, et al.The Journal of Chemical Physics|April 21, 2007
Critical analysis and extension of the Hirshfeld atoms in moleculesPatrick Bultinck, Christian Van Alsenoy, Paul W Ayers, et al.The Journal of Chemical Physics|July 28, 2007
Critical thoughts on computing atom condensed Fukui functionsPatrick Bultinck, Stijn Fias, Christian Van Alsenoy, et al.The Journal of Physical Chemistry. A|June 16, 2006
Electron delocalization and aromaticity in linear polyacenes: atoms in molecules multicenter delocalization indexPatrick Bultinck, Michel Rafat, Robert Ponec, et al.Journal of Molecular Modeling|August 30, 2018
Statistical-like signature of molecular basis setsRamon Carbó-DorcaJournal of Computational Chemistry|August 19, 2015
Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equationRamon Carbó-DorcaPageof 16