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Pavel Hobza

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2008
7EEHaydée Valdés, Vojtech Klusák, Michal Pitonák, Otto Exner, Ivo Starý, Pavel Hobza, Lubomír Rulísek: Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide. Journal of Computational Chemistry 29(6): 861-870 (2008)
2007
6EEPetr Jurecka, Jirí Cerný, Pavel Hobza, Dennis R. Salahub: Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations. Journal of Computational Chemistry 28(2): 555-569 (2007)
2003
5EEFilip Ryjáek, Tomá Kuba, Pavel Hobza: New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid bases. Journal of Computational Chemistry 24(15): 1891-1902 (2003)
1997
4EEPavel Hobza, Martin Kabelác, Jirí Sponer, Petr Mejzlík, Jiri Vondrásek: Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock results. Journal of Computational Chemistry 18(9): 1136-1150 (1997)
1996
3EEJirí Sponer, Jerzy Leszczynski, Pavel Hobza: Base stacking in cytosine dimer. A comparison of correlated ab initio calculations with three empirical potential models and density functional theory calculations. Journal of Computational Chemistry 17(7): 841-850 (1996)
1995
2 Pavel Hobza, Jirí Sponer, Tomas Reschel: Density Functional Theory and Moleculer Clusters. Journal of Computational Chemistry 16(11): 1315-1325 (1995)
1994
1 Andrea Dorigo, Paul von Ragué Schleyer, Pavel Hobza: The Structures of LiNC, NaNC, and KNC: Potential Energy Surface for the Orbiting Motion of the Metal Cation around the CN Group. Journal of Computational Chemistry 15(3): 322-332 (1994)

Coauthor Index

1Jirí Cerný [6]
2Andrea Dorigo [1]
3Otto Exner [7]
4Petr Jurecka [6]
5Martin Kabelác [4]
6Vojtech Klusák [7]
7Tomá Kuba [5]
8Jerzy Leszczynski [3]
9Petr Mejzlík [4]
10Michal Pitonák [7]
11Tomas Reschel [2]
12Lubomír Rulísek [7]
13Filip Ryjáek [5]
14Dennis R. Salahub [6]
15Paul von Ragué Schleyer [1]
16Jirí Sponer [2] [3] [4]
17Ivo Starý [7]
18Haydée Valdés [7]
19Jiri Vondrásek [4]

Colors in the list of coauthors

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