Robert Ponec

Publication Activity (10 Years)

Years Active: 1992-2011
Publications (10 Years): 0

Publications

Robert Ponec
Bond indices in solids: Extended analytical model. J. Comput. Chem. 32 (14) (2011)
Robert Ponec, György Lendvay, Joaquin Chaves
. J. Comput. Chem. 29 (9) (2008)
Robert Ponec, Joaquin Chaves
Electron pairing and chemical bonds: Pair localization in ELF domains from the analysis of domain averaged Fermi holes. J. Comput. Chem. 28 (1) (2007)
Patrick Bultinck, Robert Ponec, Ramon Carbó-Dorca
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. J. Comput. Chem. 28 (1) (2007)
Xavier Gironés, Robert Ponec
Molecular Quantum Similarity Measures from Fermi Hole Densities: Modeling Hammett Sigma Constants. J. Chem. Inf. Model. 46 (3) (2006)
Robert Ponec, Joaquin Chaves
Electron pairing and chemical bonds. Electron fluctuation and pair localization in ELF domains. J. Comput. Chem. 26 (12) (2005)
Robert Ponec, Gleb Yuzhakov, Markku R. Sundberg
Chemical structures from the analysis of domain-averaged fermi holes. Nature of the Mn-Mn bond in bis(pentacarbonylmanganese). J. Comput. Chem. 26 (5) (2005)
Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec
Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Robert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca
Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. J. Comput. Chem. 24 (15) (2003)
Robert Ponec, Xavier Gironés, Ramon Carbó-Dorca
Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. J. Chem. Inf. Comput. Sci. 42 (3) (2002)
Lluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. J. Chem. Inf. Comput. Sci. 41 (4) (2001)
Robert Ponec, Anthony J. Duben
Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes. J. Comput. Chem. 20 (8) (1999)
Alícia Torre, Luis Lain, Roberto C. Bochicchio, Robert Ponec
Nature of nonclassical bonds in Closo-Boranes: Nonlinear population analysis approach. J. Comput. Chem. 20 (10) (1999)
Robert Ponec, Lluís Amat, Ramon Carbó-Dorca
Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach. J. Comput. Aided Mol. Des. 13 (3) (1999)
Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
Molecular quantum similarity measures as an alternative to log P values in QSAR studies. J. Comput. Chem. 19 (14) (1998)
Robert Ponec
Similarity Approach to Chemical Reactivity. Regioselectivity in Pericyclic Reactions. J. Chem. Inf. Comput. Sci. 37 (4) (1997)
Robert Ponec
Similarity Approach to Chemical Reactivity. Overlap Determinant Method in the Chemistry of Complex Reactions with Coarctate Transition States. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
Robert Ponec
Similarity approach to chemical reactivity. A simple criterion for discriminating between one-step and stepwise reaction mechanisms in pericyclic reactivity. J. Chem. Inf. Comput. Sci. 33 (6) (1993)
Robert Ponec, Martin Strnad
Similarity ideas in the theory of pericyclic reactivity. J. Chem. Inf. Comput. Sci. 32 (6) (1992)