Quantum similarity measures, molecular cloud description, and structure-properties relationships. - Ramon Carbó; Blanca Calabuig (J. Chem. Inf. Comput. Sci., 1992)

Definition, Mathematical Examples and Quantum Chemical Applications of Nested Summation Symbols and Logical Kronecker Deltas. - Ramon Carbó; Emili Besalú (Comput. Chem., 1994)

On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density. - Jordi Mestres; Miquel Solà; Miquel Duran; Ramon Carbó (J. Comput. Chem., 1994)

Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). - Miquel Solà; Jordi Mestres; Miquel Duran; Ramon Carbó (J. Chem. Inf. Comput. Sci., 1994)

Atomic Shell Approximation: Electron Density Fitting Algorithm Restricting Coefficients to Positive Values. - Pere Constans; Ramon Carbó (J. Chem. Inf. Comput. Sci., 1995)

Toward a global maximization of the molecular similarity function: Superposition of two molecules. - Pere Constans; Lluís Amat; Ramon Carbó-Dorca (J. Comput. Chem., 1997)

Molecular quantum similarity measures as an alternative to log P values in QSAR studies. - Lluís Amat; Ramon Carbó-Dorca; Robert Ponec (J. Comput. Chem., 1998)

Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study. - Lluís Amat; David Robert; Emili Besalú; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 1998)

A Formal Comparison between Molecular Quantum Similarity Measures and Indices. - David Robert; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 1998)

Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model. - David Robert; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 1998)

Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach. - Robert Ponec; Lluís Amat; Ramon Carbó-Dorca (J. Comput. Aided Mol. Des., 1999)

Facet diagrams for quantum similarity data. - David Robert; Xavier Gironés; Ramon Carbó-Dorca (J. Comput. Aided Mol. Des., 1999)

Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example. - Lluís Amat; Ramon Carbó-Dorca (J. Comput. Chem., 1999)

Three-Dimensional Quantitative Structure-Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family. - David Robert; Lluís Amat; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 1999)

Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. - Xavier Gironés; Lluís Amat; David Robert; Ramon Carbó-Dorca (J. Comput. Aided Mol. Des., 2000)

Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation. - Lluís Amat; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2000)

Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. - Xavier Gironés; Ana Gallegos Saliner; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2000)

Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study. - David Robert; Xavier Gironés; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2000)

Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity. - Ana Gallegos Saliner; David Robert; Xavier Gironés; Ramon Carbó-Dorca (J. Comput. Aided Mol. Des., 2001)

Antimalarial activity of synthetic 1, 2, 4-trioxanes and cyclic peroxy ketals, a quantum similarity study. - Xavier Gironés; Ana Gallegos Saliner; Ramon Carbó-Dorca (J. Comput. Aided Mol. Des., 2001)

TGSA: A molecular superposition program based on topo-geometrical considerations. - Xavier Gironés; David Robert; Ramon Carbó-Dorca (J. Comput. Chem., 2001)

Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. - Lluís Amat; Emili Besalú; Ramon Carbó-Dorca; Robert Ponec (J. Chem. Inf. Comput. Sci., 2001)

Modeling Large Macromolecular Structures Using Promolecular Densities. - Xavier Gironés; Lluís Amat; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2002)

Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems. - Xavier Gironés; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2002)

Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. - Xavier Gironés; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2002)

Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. - Robert Ponec; Xavier Gironés; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2002)

Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. - Robert Ponec; Gleb Yuzhakov; Ramon Carbó-Dorca (J. Comput. Chem., 2003)

Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms. - Patrick Bultinck; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2003)

Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity. - Patrick Bultinck; Ramon Carbó-Dorca; Christian Van Alsenoy (J. Chem. Inf. Comput. Sci., 2003)

Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry. - Patrick Bultinck; Tom Kuppens; Xavier Gironés; Ramon Carbó-Dorca (J. Chem. Inf. Comput. Sci., 2003)

Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. - Patrick Bultinck; Wilfried Langenaeker; Ramon Carbó-Dorca; Jan P. Tollenaere (J. Chem. Inf. Comput. Sci., 2003)

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 (J. Chem. Inf. Comput. Sci., 2003)

Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. - Xavier Gironés; Ramon Carbó-Dorca; Robert Ponec (J. Chem. Inf. Comput. Sci., 2003)

Molecular Quantum Similarity Analysis of Estrogenic Activity. - Ana Gallegos Saliner; Lluís Amat; Ramon Carbó-Dorca; T. Wayne Schultz; Mark T. D. Cronin (J. Chem. Inf. Comput. Sci., 2003)

TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules. - Xavier Gironés; Ramon Carbó-Dorca (J. Comput. Chem., 2004)

Maximal probability domains in linear molecules. - Ana Gallegos; Ramon Carbó-Dorca; François Lodier; Eric Cancès; Andreas Savin (J. Comput. Chem., 2005)

Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules. - Noel Ferro; Ana Gallegos; Patrick Bultinck; Hans-Jörg Jacobsen; Ramon Carbó-Dorca; Thomas Reinard (J. Chem. Inf. Model., 2006)

Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). - Joaquim Chaves Martinez; Joan M. Barroso; Patrick Bultinck; Ramon Carbó-Dorca (J. Chem. Inf. Model., 2006)

Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. - Patrick Bultinck; Robert Ponec; Ramon Carbó-Dorca (J. Comput. Chem., 2007)

Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution. - Ramon Carbó-Dorca; Ana Gallegos; Ángel J. Sánchez (J. Comput. Chem., 2009)

Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor. - Ramon Carbó-Dorca; Ana Gallegos Saliner (J. Comput. Chem., 2009)

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. - Albert Poater; Ana Gallegos Saliner; Ramon Carbó-Dorca; Jordi Poater; Miquel Solà; Luigi Cavallo; Andrew P. Worth (J. Comput. Chem., 2009)

Quantum Similarity and Quantum Quantitative Structure-Properties Relationships (QQSPR). - Ramon Carbó-Dorca; Ana Gallegos (Encyclopedia of Complexity and Systems Science, 2009)

Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures. - Ramon Carbó-Dorca; Emili Besalú (J. Comput. Chem., 2010)

Commentaries on quantum similarity (1): Density gradient quantum similarity. - Ramon Carbó-Dorca; Luz Dary Mercado (J. Comput. Chem., 2010)

Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm. - Ramon Carbó-Dorca; Emili Besalú; Luz Dary Mercado (J. Comput. Chem., 2011)

Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces. - Ramon Carbó-Dorca (J. Comput. Chem., 2013)

Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation. - Ramon Carbó-Dorca (J. Comput. Chem., 2016)

Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure. - Satrya Fajri Pratama; Azah Kamilah Muda; Yun-Huoy Choo; Ramon Carbó-Dorca; Ajith Abraham (SoCPaR, 2019)

Nine questions on energy decomposition analysis. - Juan Andrés; Paul W. Ayers; Roberto Álvarez Boto; Ramon Carbó-Dorca; Henry Chermette; Jerzy Cioslowski; Julia Contreras-Garcia; David L. Cooper; Gernot Frenking; Carlo Gatti; Farnaz Heidar-Zadeh; Laurent Joubert; et al. (J. Comput. Chem., 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 13-978-1-4987-1151-7. - Ramon Carbó-Dorca (J. Comput. Chem., 2019)

Divagations about the periodic table: Boolean hypercube and quantum similarity connections. - Ramon Carbó-Dorca; Tanmoy Chakraborty 004 (J. Comput. Chem., 2019)

An HPC hybrid parallel approach to the experimental analysis of Fermat's theorem extension to arbitrary dimensions on heterogeneous computer systems. - Alfonso Niño; Sebastián Reyes; Ramon Carbó-Dorca (J. Supercomput., 2021)