Ramon Carbó-Dorca Carré

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Emili BesalúUniversitat de GironaVerified email at udg.edu
Patrick BultinckGhent University - UGentVerified email at UGent.be
Miquel Solà Puig (ORCID: 0000-0002-...University of Girona (GRID grid.5319.e / ROR 01xdxns91)Verified email at udg.edu
Jordi MestresIMIM Hospital del Mar Medical Research InstituteVerified email at imim.es
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityVerified email at chemistry.mcmaster.ca
Xavier FraderaComputational Chemistry, Blueprint MedicinesVerified email at merck.com
Miquel DuranInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Verified email at udg.edu
Sofie Van DammeUgentVerified email at ugent.be
Paul PopelierProfessor of Chemical Theory and ComputationVerified email at manchester.ac.uk
Wilfried LangenaekerUHasseltVerified email at uhasselt.be
Tanmoy ChakrabortyProfessor, Department of Chemistry & Biochemistry, SBSR, Sharda University, Greater NoidaVerified email at sharda.ac.in
Alfonso NiñoProfessor of Computer Science, Universidad de Castilla-La ManchaVerified email at uclm.es
Juan J. NovoaUniv. BarcelonaVerified email at ub.edu
Ferran SanzDirector, Research Programme on Biomedical Informatics (GRIB), IMIM, Universitat Pompeu Fabra, BarcelonaVerified email at imim.es
Noel FerroUniversity of BonnVerified email at thch.uni-bonn.de
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéVerified email at lct.jussieu.fr
Russell BoydDalhousie UniversityVerified email at dal.ca
W-H-Eugen SchwarzProfessor emer. of Theoretical Chemistry, University of SiegenVerified email at uni-siegen.de
kalidas senProfessor of Chemistry, University of HyderabadVerified email at uohyd.ac.in
Satrya Fajri PratamaUniversiti Teknikal Malaysia MelakaVerified email at utem.edu.my

Ramon Carbó-Dorca Carré

Institute of Computational Chemistry Universitat de Girona

Verified email at udg.edu - Homepage

Mathematical Chemistry Quantum Theory Molecular Similarity QSPR Quantum Chemistry


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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	857	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	615	2007
Self-consistent field: theory and applications K Yamaguchi, R Carbo, M Klobukowski Carbo, and M. Klobukowski, eds, 1990	209	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	199	2006
LCAO–MO similarity measures and taxonomy R Carbó, L Domingo International journal of quantum chemistry 32 (4), 517-545, 1987	172	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	165	2007
A general SCF theory R Carbo, JM Riera Springer Science & Business Media, 2012	139	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	139	1997
A general survey of molecular quantum similarity R Carbó-Dorca, E Besalú Journal of Molecular Structure: THEOCHEM 451 (1-2), 11-23, 1998	138	1998
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	138	1992
Molecular similarity and reactivity: from quantum chemical to phenomenological approaches R Carbó, R Carbó Springer Science & Business Media, 1995	131*	1995
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	131	1994
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	122	2003
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	115	2002
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	113	1999
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	110	1995
Molecular quantum similarity: theory and applications P Bultinck, X Gironés, R Carbó‐Dorcaz Reviews in computational chemistry 21, 127-207, 2005	107	2005
Molecular quantum similarity in QSAR and drug design R Carbó-Dorca, D Robert, L Amat, X Gironés, E Besalú Springer Science & Business Media, 2000	105	2000
Foundations and recent developments on molecular quantum similarity E Besalú, R Carbó, J Mestres, M Solà Molecular Similarity I, 31-62, 1995	104	1995
Quantum mechanical origin of QSAR: theory and applications R Carbó-Dorca, L Amat, E Besalú, X Gironés, D Robert Journal of Molecular Structure: THEOCHEM 504 (1-3), 181-228, 2000	102	2000

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