Ramon Carbó-Dorca

Best Publications

• Critical analysis and extension of the Hirshfeld atoms in molecules

  Patrick Bultinck;Christian Van Alsenoy;Paul W. Ayers;Ramon Carbó-Dorca

  836
  Citations

• Electron delocalization and aromaticity in linear polyacenes: Atoms in molecules multicenter delocalization index

  Patrick Bultinck;Michel Rafat;Robert Ponec;Bart Van Gheluwe

  222
  Citations

• Critical thoughts on computing atom condensed Fukui functions.

  Patrick Bultinck;Stijn Fias;Christian Van Alsenoy;Paul W. Ayers

  219
  Citations

• <scp>LCAO–MO</scp> similarity measures and taxonomy

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  153
  Citations

• Nine questions on energy decomposition analysis.

  Juan Andrés;Paul W. Ayers;Roberto Álvarez Boto;Ramon Carbó-Dorca

  150
  Citations

• Negative Fukui functions: New insights based on electronegativity equalization

  Patrick Bultinck;Ramon Carbó-Dorca;Wilfried Langenaeker

  149
  Citations

• Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations

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  147
  Citations

• A general survey of molecular quantum similarity

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  146
  Citations

• Molecular Quantum Similarity: Theory and Applications

  Patrick Bultinck;Xavier Gironés;Ramon Carbó‐Dorcaz

  131
  Citations

• Six questions on topology in theoretical chemistry

  Paul L. Ayers;Russell J. Boyd;Patrick Bultinck;Michel Caffarel

  130
  Citations

• Molecular quantum similarity measures and <i>N</i>‐dimensional representation of quantum objects. I. Theoretical foundations

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  129
  Citations

• Molecular quantum similarity and the fundamentals of QSAR

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  128
  Citations

• Quantum Mechanical Basis for Mulliken Population Analysis

  Ramon Carbó-Dorca;Patrick Bultinck

  123
  Citations

• Advances in Molecular Similarity

  Ramón Carbó;Paul G. Mezey

  114
  Citations

• TOWARD A GLOBAL MAXIMIZATION OF THE MOLECULAR SIMILARITY FUNCTION : SUPERPOSITION OF TWO MOLECULES

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  114
  Citations

• Quantum mechanical origin of QSAR: theory and applications

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  112
  Citations

• Foundations and recent developments on molecular quantum similarity

  Emili Besalú;Ramon Carbó;Jordi Mestres;Miquel Solà

  111
  Citations

• Molecular similarity and reactivity : from quantum chemical to phenomenological approaches

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  110
  Citations

• Molecular Quantum Similarity in QSAR and Drug Design

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  109
  Citations

• Molecular Quantum Similarity: theoretical Framework, Ordering Principles, and Visualization Techniques

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  104
  Citations