Ramon Carbó-Dorca Carré

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Emili BesalúUniversitat de GironaAdresse e-mail validée de udg.edu
Miquel Solà PuigUniversity of Girona (UdG), Institute of Computational Chemistry & Catalysis and Dep. of ChemistryAdresse e-mail validée de udg.edu
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityAdresse e-mail validée de chemistry.mcmaster.ca
Jordi MestresIMIM Hospital del Mar Medical Research InstituteAdresse e-mail validée de imim.es
Miquel DuranInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Adresse e-mail validée de udg.edu
Xavier FraderaModeling and Informatics, Merck & CoAdresse e-mail validée de merck.com
Paul PopelierProfessor of Chemical Theory and ComputationAdresse e-mail validée de manchester.ac.uk
Carlo PetrongoloProfessor of Physical Chemistry, Istituto per i Processi Chimico-Fisici, CNR, Pisa, ItalyAdresse e-mail validée de ipcf.cnr.it
Alfonso NiñoProfessor of Computer Science, Universidad de Castilla-La ManchaAdresse e-mail validée de uclm.es
Ferran SanzDirector, Research Programme on Biomedical Informatics (GRIB), IMIM, Universitat Pompeu Fabra, BarcelonaAdresse e-mail validée de imim.es
Juan J. NovoaUniv. BarcelonaAdresse e-mail validée de ub.edu
Noel FerroUniversity of BonnAdresse e-mail validée de thch.uni-bonn.de
Julia Contreras-GarcíaCNRS & Université Pierre et Marie CurieAdresse e-mail validée de lct.jussieu.fr
kalidas senProfessor of Chemistry, University of HyderabadAdresse e-mail validée de uohyd.ac.in
Albert PoaterUniversitat de GironaAdresse e-mail validée de udg.edu
JuanMa BarrosoUniversitat de GironaAdresse e-mail validée de udg.edu
Jacek KarwowskiInstitute of Physics, Nicolaus Copernicus UniversityAdresse e-mail validée de fizyka.umk.pl
Alla P. ToropovaIRCCS, Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, ItalyAdresse e-mail validée de marionegri.it
Andrey ToropovPh.D. in mathematics and physics ,invited scientist in Istituto di Ricerche Farmacologiche MarioAdresse e-mail validée de marionegri.it
Diego Orlando Barragán GuerreroDocente Investigador UTPLAdresse e-mail validée de utpl.edu.ec

Ramon Carbó-Dorca Carré

Institute of Computational Chemistry Universitat de Girona

Adresse e-mail validée de udg.edu - Page d'accueil

Mathematical Chemistry Quantum Theory Molecular Similarity QSPR Quantum Chemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	825	1980
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), 144111, 2007	532	2007
Self-Consistent Field: Theory and Applications K Yamaguchi, R Carbo, M Klobukowski Instability chemical bonding, 727-823, 1990	191	1990
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	187	2006
LCAO–MO similarity measures and taxonomy R Carbó, L Domingo International journal of quantum chemistry 32 (4), 517-545, 1987	167	1987
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), 034102, 2007	149	2007
A general SCF theory R Carbo, JM Riera Springer Science & Business Media, 2012	133	2012
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	131	1997
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	130	1992
A general survey of molecular quantum similarity R Carbó-Dorca, E Besalú Journal of Molecular Structure: Theochem 451 (1-2), 11-23, 1998	129	1998
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	125	1994
Current aspects of quantum chemistry RJ Buenker, G Hirsch, SD Peyerimhoff, PJ Bruna, J Römelt, M Bettendorff, ... Studies in physical and theoretical chemistry 21, 17, 1981	119	1981
Molecular similarity and reactivity: from quantum chemical to phenomenological approaches R Carbó, R Carbó Springer Science & Business Media, 1995	116*	1995
Negative Fukui functions: New insights based on electronegativity equalization P Bultinck, R Carbó-Dorca, W Langenaeker The Journal of chemical physics 118 (10), 4349-4356, 2003	112	2003
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	107	1999
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	106	2002
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	106	1995
Molecular quantum similarity in QSAR and drug design R Carbó-Dorca, D Robert, L Amat, X Gironés, E Besalú Springer Science & Business Media, 2000	100	2000
Toward a global maximization of the molecular similarity function: Superposition of two molecules P Constans, L Amat, R Carbó‐Dorca Journal of computational chemistry 18 (6), 826-846, 1997	97	1997
Molecular quantum similarity: theory and applications P Bultinck, X Gironés, R Carbo-Dorca Reviews in computational chemistry 21, 127, 2005	96	2005

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