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Results: 182

Ramon Carbó, Blanca Calabuig
Advances in Quantum Chemistry
Adv Quantum Chem, 2005, 49, 121-207
DOI: 10.1016/S0065-3276(05)49003-6
Keywords: Molecular similarity

Ramon Carbó-Dorca, Xavier Gironés
Foundation of quantum similarity measures and their relationship to QSPR: Density function structure, approximations, and application examples
Int. J. Quantum Chem., 2005, 101, 8-20
DOI: 10.1002/qua.20191
Keywords: Molecular similarity

Ramon Carbó-Dorca
Molecular Nuclear Fields: A Naïve Perspective
J Math Chem, 2005, 38, 671-676
DOI: 10.1007/s10910-005-6911-5
Keywords: Molecular similarity

Ramon Carbó-Dorca
Deduction of Heisenberg relations and Schrödinger equation through the structure of N -dimensional parameterized metric vector spaces
J Math Chem, 2005, 38, 89-101
DOI: 10.1007/s10910-005-4531-8
Keywords: Molecular similarity

A. Gallegos, R. Carbó-Dorca, F. Lodier, E. Cancès, A. Savin
Maximal probability domains in linear molecules
J. Comput. Chem., 2005, 26, 455-460
DOI: 10.1002/jcc.20180
Keywords: Molecular similarity

Robert Ponec, Patrick Bultinck, SofieVan Damme, Ramon Carbó-Dorca, Dean J. Tantillo
Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts
Theor Chem Acc, 2005, 113, 205-211
DOI: 10.1007/s00214-004-0625-9
Keywords: Molecular similarity

Francesc Giralt, G. Espinosa, A. Arenas, J. Ferre-Gine, L. Amat, X. Gironés, R. Carbó-Dorca, Y. Cohen
Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers
AIChE J., 2004, 50, 1315-1343
DOI: 10.1002/aic.10116
Keywords: Molecular similarity

Ramon Carbó-Dorca
Discussion on the variable Wolfsberg-Helmholtz parameter, a new simplified Löwdin transformation and the characteristic structure of the transformed EHT Hamiltonian matrices
Int. J. Quantum Chem., 2004, 98, 26-32
DOI: 10.1002/qua.20011
Keywords: Molecular similarity

Ana Gallegos, Ramon Carbó-Dorca, Robert Ponec, Karel Waisser
Similarity approach to QSAR
International Journal of Pharmaceutics, 2004, 269, 51-60
DOI: 10.1016/j.ijpharm.2003.08.013
Keywords: Molecular similarity

Xavier Gironés, Ramon Carbó-Dorca
TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules
J. Comput. Chem., 2004, 25, 153-159
DOI: 10.1002/jcc.10258
Keywords: Molecular similarity