Xavier Gironés

Quantum mechanical origin of QSAR: theory and applications

Ramon Carbó‐Dorca, Lluı́s Amat, Emili Besalú et al. · Journal of Molecular Structure THEOCHEM · 2000 · 80 citations

Natural Sciences, Chemistry, Physics +12

Chemical Structures from the Analysis of Domain-Averaged Fermi Holes. The Nature of Ga−Ga Bonding in PhGaGaPh²^- and (PhGaGaPh)Na₂

Robert Ponec, Gleb Yuzhakov, Xavier Gironés et al. · Organometallics · 2004 · 59 citations

Natural Sciences, Chemistry, Physics +14

Foundation of quantum similarity measures and their relationship to QSPR: Density function structure, approximations, and application examples

Ramon Carbó‐Dorca, Xavier Gironés · International Journal of Quantum Chemistry · 2004 · 58 citations · Full text

Natural Sciences, Chemistry, Physics +17

Modeling Antimalarial Activity:  Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR

Xavier Gironés, Ana Gallegos, Ramon Carbó‐Dorca · Journal of Chemical Information and Computer Sciences · 2000 · 51 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Quantum Similarity Superposition Algorithm (QSSA):  A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry

Patrick Bultinck, Tom Kuppens, Xavier Gironés et al. · Journal of Chemical Information and Computer Sciences · 2003 · 46 citations

Natural Sciences, Chemistry, Physics +13