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Robert Ponec

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2008
18EERobert Ponec, György Lendvay, Joaquin Chaves: Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8. Journal of Computational Chemistry 29(9): 1387-1398 (2008)
2007
17EERobert Ponec, Joaquin Chaves: Electron pairing and chemical bonds: Pair localization in ELF domains from the analysis of domain averaged Fermi holes. Journal of Computational Chemistry 28(1): 109-116 (2007)
16EEPatrick Bultinck, Robert Ponec, Ramon Carbó-Dorca: Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. Journal of Computational Chemistry 28(1): 152-160 (2007)
2006
15EEXavier Gironés, Robert Ponec: Molecular Quantum Similarity Measures from Fermi Hole Densities: Modeling Hammett Sigma Constants. Journal of Chemical Information and Modeling 46(3): 1388-1393 (2006)
2005
14EERobert Ponec, Joaquin Chaves: Electron pairing and chemical bonds. Electron fluctuation and pair localization in ELF domains. Journal of Computational Chemistry 26(12): 1205-1213 (2005)
13EERobert 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). Journal of Computational Chemistry 26(5): 447-454 (2005)
2003
12EEXavier Gironés, Ramon Carbó-Dorca, Robert Ponec: Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. Journal of Chemical Information and Computer Sciences 43(6): 2033-2038 (2003)
11EERobert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca: Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. Journal of Computational Chemistry 24(15): 1829-1838 (2003)
2002
10EERobert Ponec, Xavier Gironés, Ramon Carbó-Dorca: Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. Journal of Chemical Information and Computer Sciences 42(3): 564-570 (2002)
2001
9EELluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. Journal of Chemical Information and Computer Sciences 41(4): 978-991 (2001)
1999
8EEAlícia Torre, Luis Lain, Roberto C. Bochicchio, Robert Ponec: Nature of nonclassical bonds in Closo-Boranes: Nonlinear population analysis approach. Journal of Computational Chemistry 20(10): 1085-1090 (1999)
7EERobert Ponec, Anthony J. Duben: Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes. Journal of Computational Chemistry 20(8): 760-771 (1999)
6EERobert Ponec, Lluís Amat, Ramon Carbó-Dorca: Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach. Journal of Computer-Aided Molecular Design 13(3): 259-270 (1999)
1998
5EELluís Amat, Ramon Carbó-Dorca, Robert Ponec: Molecular quantum similarity measures as an alternative to log P values in QSAR studies. Journal of Computational Chemistry 19(14): 1575-1583 (1998)
1997
4EERobert Ponec: Similarity Approach to Chemical Reactivity. Regioselectivity in Pericyclic Reactions. Journal of Chemical Information and Computer Sciences 37(4): 745-751 (1997)
1996
3EERobert Ponec: Similarity Approach to Chemical Reactivity. Overlap Determinant Method in the Chemistry of Complex Reactions with Coarctate Transition States. Journal of Chemical Information and Computer Sciences 36(3): 554-558 (1996)
1993
2EERobert Ponec: Similarity approach to chemical reactivity. A simple criterion for discriminating between one-step and stepwise reaction mechanisms in pericyclic reactivity. Journal of Chemical Information and Computer Sciences 33(6): 805-811 (1993)
1992
1EERobert Ponec, Martin Strnad: Similarity ideas in the theory of pericyclic reactivity. Journal of Chemical Information and Computer Sciences 32(6): 693-699 (1992)

Coauthor Index

1Lluís Amat [5] [6] [9]
2Emili Besalú [9]
3Roberto C. Bochicchio [8]
4Patrick Bultinck [16]
5Ramon Carbó-Dorca (Ramon Carbó) [5] [6] [9] [10] [11] [12] [16]
6Joaquin Chaves [14] [17] [18]
7Anthony J. Duben [7]
8Xavier Gironés [10] [12] [15]
9Luis Lain [8]
10György Lendvay [18]
11Martin Strnad [1]
12Markku R. Sundberg [13]
13Alícia Torre [8]
14Gleb Yuzhakov [11] [13]

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Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)