2008 |
18 | EE | Robert 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 |
17 | EE | Robert 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) |
16 | EE | Patrick 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 |
15 | EE | Xavier 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 |
14 | EE | Robert 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) |
13 | EE | 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).
Journal of Computational Chemistry 26(5): 447-454 (2005) |
2003 |
12 | EE | Xavier 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) |
11 | EE | Robert 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 |
10 | EE | Robert 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 |
9 | EE | Lluís 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 |
8 | EE | Alícia 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) |
7 | EE | Robert 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) |
6 | EE | Robert 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 |
5 | EE | Lluís 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 |
4 | EE | Robert Ponec:
Similarity Approach to Chemical Reactivity. Regioselectivity in Pericyclic Reactions.
Journal of Chemical Information and Computer Sciences 37(4): 745-751 (1997) |
1996 |
3 | EE | Robert 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 |
2 | EE | Robert 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 |
1 | EE | Robert Ponec,
Martin Strnad:
Similarity ideas in the theory of pericyclic reactivity.
Journal of Chemical Information and Computer Sciences 32(6): 693-699 (1992) |