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 / Universitat de Girona (GRID grid.5319.e / ROR 01xdxns91)Verified email at udg.edu
Jordi MestresChemotargets SLVerified email at chemotargets.com
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityVerified email at chemistry.mcmaster.ca
Xavier FraderaComputational Chemistry, Blueprint MedicinesVerified email at blueprintmedicines.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
Tanmoy ChakrabortyRegistrar, SVKM's Narsee monjee Institute of Management Studies (NMIMS), MumbaiVerified email at nmims.edu
Paul PopelierProfessor of Chemical Theory and ComputationVerified email at manchester.ac.uk
Wilfried LangenaekerUHasseltVerified email at uhasselt.be
Alfonso NiñoProfessor of Computer Science, Universidad de Castilla-La ManchaVerified email at uclm.es
Satrya Fajri PratamaUniversity of HertfordshireVerified email at herts.ac.uk
Azah Kamilah MudaUniversiti Teknikal Malaysia MelakaVerified email at utem.edu.my
Noel FerroUniversity of BonnVerified email at thch.uni-bonn.de
Alla P. Toropova, PhDIRCCS, Istituto di Ricerche Farmacologiche Mario Negri, 20156, Via La Masa 19, Milano, ItalyVerified email at marionegri.it
Andrey ToropovPh.D. in mathematics and physics ,invited scientist in Istituto di Ricerche Farmacologiche MarioVerified email at marionegri.it
Juan J. NovoaUniv. BarcelonaVerified email at ub.edu
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéVerified email at lct.jussieu.fr
Russell BoydDalhousie UniversityVerified email at dal.ca

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	921	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), 2007	778	2007
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	219	2006
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	211	2007
Self-consistent field: theory and applications K Yamaguchi, R Carbo, M Klobukowski by R. Carbo and M. Klobukowski, Elsevier, Amsterdam, 727, 1990	199	1990
LCAO–MO similarity measures and taxonomy R Carbó, L Domingo International journal of quantum chemistry 32 (4), 517-545, 1987	180	1987
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	153	1997
A general survey of molecular quantum similarity R Carbó-Dorca, E Besalú Journal of Molecular Structure: Theochem 451 (1-2), 11-23, 1998	149	1998
A general SCF theory R Carbó, JM Riera Springer Science & Business Media, 2012	147	2012
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	146	1992
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	140	1994
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	138	2003
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	134	2019
Molecular similarity and reactivity: from quantum chemical to phenomenological approaches R Carbó Springer Science & Business Media, 1995	134*	1995
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	127	2002
Molecular quantum similarity: theory and applications P Bultinck, X Gironés, R Carbó‐Dorcaz Reviews in computational chemistry 21, 127-207, 2005	126	2005
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	118	2015
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	116	1995
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	111	1999
Molecular quantum similarity in QSAR and drug design R Carbó-Dorca, D Robert, L Amat, X Gironés, E Besalú Springer Science & Business Media, 2012	108	2012

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