Ramon Carbó-Dorca - researchr alias

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Viewing Publication 1 - 46 from 46

2021

An HPC hybrid parallel approach to the experimental analysis of Fermat's theorem extension to arbitrary dimensions on heterogeneous computer systemsAlfonso Niño, Sebastián Reyes, Ramon Carbó-Dorca. tjs, 77(10):11328-11352, 2021. [doi]

2019

"Solved and unsolved problems of structural chemistry" by Milan Randić, Marjana Novič, and Dejan Plavšić CRC Press, Boca Raton, 2016, XX+472 pp. ISBN 13-978-1-4987-1151-7Ramon Carbó-Dorca. jcc, 40(21):1880, 2019. [doi]

Divagations about the periodic table: Boolean hypercube and quantum similarity connectionsRamon Carbó-Dorca, Tanmoy Chakraborty 0004. jcc, 40(30):2653-2663, 2019. [doi]

Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular StructureSatrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ramon Carbó-Dorca, Ajith Abraham. socpar 2021: 90-101 [doi]

2016

Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equationRamon Carbó-Dorca. jcc, 37(1):78-82, 2016. [doi]

2013

Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spacesRamon Carbó-Dorca. jcc, 34(9):766-779, 2013. [doi]

2011

Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithmRamon Carbó-Dorca, Emili Besalú, Luz Dary Mercado. jcc, 32(4):582-599, 2011. [doi]

2010

Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measuresRamon Carbó-Dorca, Emili Besalú. jcc, 31(13):2452-2462, 2010. [doi]

Commentaries on quantum similarity (1): Density gradient quantum similarityRamon Carbó-Dorca, Luz Dary Mercado. jcc, 31(11):2195-2212, 2010. [doi]

2009

Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolutionRamon Carbó-Dorca, Ana Gallegos, Ángel J. Sánchez. jcc, 30(7):1146-1159, 2009. [doi]

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicineAlbert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth. jcc, 30(2):275-284, 2009. [doi]

2007

Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approachPatrick Bultinck, Robert Ponec, Ramon Carbó-Dorca. jcc, 28(1):152-160, 2007. [doi]

2006

Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like MoleculesNoel Ferro, Ana Gallegos, Patrick Bultinck, Hans-Jörg Jacobsen, Ramon Carbó-Dorca, Thomas Reinard. jcisd, 46(4):1751-1762, 2006. [doi]

Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM)Joaquim Chaves Martinez, Joan M. Barroso, Patrick Bultinck, Ramon Carbó-Dorca. jcisd, 46(4):1657-1665, 2006. [doi]

2005

Maximal probability domains in linear moleculesAna Gallegos, Ramon Carbó-Dorca, François Lodier, Eric Cancès, Andreas Savin. jcc, 26(5):455-460, 2005. [doi]

2004

TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible moleculesXavier Gironés, Ramon Carbó-Dorca. jcc, 25(2):153-159, 2004. [doi]

2003

Molecular Quantum Similarity Matrix Based Clustering of Molecules Using DendrogramsPatrick Bultinck, Ramon Carbó-Dorca. jcisd, 43(1):170-177, 2003. [doi]

Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum SimilarityPatrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy. jcisd, 43(4):1208-1217, 2003. [doi]

Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum ChemistryPatrick Bultinck, Tom Kuppens, Xavier Gironés, Ramon Carbó-Dorca. jcisd, 43(4):1143-1150, 2003. [doi]

Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization MethodPatrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere. jcisd, 43(2):422-428, 2003. [doi]

Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 (2002)Xavier Gironés, Ramon Carbó-Dorca. jcisd, 43(4):1335-1336, 2003. [doi]

Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity MeasuresXavier Gironés, Ramon Carbó-Dorca, Robert Ponec. jcisd, 43(6):2033-2038, 2003. [doi]

Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compoundsRobert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca. jcc, 24(15):1829-1838, 2003. [doi]

Molecular Quantum Similarity Analysis of Estrogenic ActivityAna Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin. jcisd, 43(4):1166-1176, 2003. [doi]

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1997

Toward a global maximization of the molecular similarity function: Superposition of two moleculesPere Constans, Lluís Amat, Ramon Carbó-Dorca. jcc, 18(6):826-846, 1997. [doi]

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