Takip et
Ramon Carbó-Dorca Carré
Ramon Carbó-Dorca Carré
Institute of Computational Chemistry Universitat de Girona
udg.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
How similar is a molecule to another? An electron density measure of similarity between two molecular structures
R Carbó, L Leyda, M Arnau
International journal of quantum chemistry 17 (6), 1185-1189, 1980
9121980
Critical analysis and extension of the Hirshfeld atoms in molecules
P Bultinck, C Van Alsenoy, PW Ayers, R Carbó-Dorca
The Journal of chemical physics 126 (14), 2007
7992007
Electron delocalization and aromaticity in linear polyacenes: atoms in molecules multicenter delocalization index
P Bultinck, M Rafat, R Ponec, B Van Gheluwe, R Carbo-Dorca, P Popelier
The Journal of Physical Chemistry A 110 (24), 7642-7648, 2006
2192006
Critical thoughts on computing atom condensed Fukui functions
P Bultinck, S Fias, C Van Alsenoy, PW Ayers, R Carbó-Dorca
The Journal of chemical physics 127 (3), 2007
2142007
Self-consistent field: theory and applications
K Yamaguchi, R Carbo, M Klobukowski
by R. Carbo and M. Klobukowski, Elsevier, Amsterdam, 727, 1990
2031990
LCAO–MO similarity measures and taxonomy
R Carbó, L Domingo
International journal of quantum chemistry 32 (4), 517-545, 1987
1801987
Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
L Amat, R Carbó‐Dorca
Journal of computational chemistry 18 (16), 2023-2039, 1997
1521997
A general survey of molecular quantum similarity
R Carbó-Dorca, E Besalú
Journal of Molecular Structure: Theochem 451 (1-2), 11-23, 1998
1501998
A general SCF theory
R Carbó, JM Riera
Springer Science & Business Media, 2012
1482012
Molecular quantum similarity measures and N‐dimensional representation of quantum objects. I. Theoretical foundations
R Carbó, B Calabuig
International journal of quantum chemistry 42 (6), 1681-1693, 1992
1461992
Molecular quantum similarity: theoretical framework, ordering principles, and visualization techniques
R Carbó, B Calabuig, L Vera, E Besalú
Advances in quantum chemistry 25, 253-313, 1994
1381994
Negative Fukui functions: New insights based on electronegativity equalization
P Bultinck, R Carbó-Dorca, W Langenaeker
© Journal of Chemical Physics, 2003, vol. 118, núm. 10, p. 4349-4356, 2003
1372003
Molecular similarity and reactivity: from quantum chemical to phenomenological approaches
R Carbó
Springer Science & Business Media, 1995
137*1995
Nine questions on energy decomposition analysis
J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ...
Journal of Computational Chemistry 40 (26), 2248-2283, 2019
1362019
Molecular quantum similarity: theory and applications
P Bultinck, X Gironés, R Carbó‐Dorcaz
Reviews in computational chemistry 21, 127-207, 2005
1282005
Molecular quantum similarity and the fundamentals of QSAR
E Besalú, X Gironés, L Amat, R Carbó-Dorca
Accounts of Chemical Research 35 (5), 289-295, 2002
1222002
Six questions on topology in theoretical chemistry
PL Ayers, RJ Boyd, P Bultinck, M Caffarel, R Carbó-Dorca, M Causá, ...
Computational and Theoretical Chemistry 1053, 2-16, 2015
1202015
Atomic shell approximation: electron density fitting algorithm restricting coefficients to positive values
P Constans, R Carbo
Journal of chemical information and computer sciences 35 (6), 1046-1053, 1995
1171995
Three-dimensional quantitative structure− activity relationships from tuned molecular quantum similarity measures: prediction of the corticosteroid-binding globulin binding …
D Robert, L Amat, R Carbó-Dorca
Journal of chemical information and computer sciences 39 (2), 333-344, 1999
1121999
Molecular quantum similarity in QSAR and drug design
R Carbó-Dorca, D Robert, L Amat, X Gironés, E Besalú
Springer Science & Business Media, 2012
1102012
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