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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.


Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations

Corresponding authors
Department of Physical Chemistry, Palacký University, tř. 17. listopadu 12, 771 46 Olomouc, Czech Republic
E-mail: petr.jurecka@upol.cz
Institute of Biophysics, Academy of Sciences of the Czech Republic, Královopolská 135, 612 65 Brno, Czech Republic
Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic and Center of Biomolecules and Complex Molecular Systems, Flemingovo náměstí 2, 166 10 Prague 6, Czech Republic
Phys. Chem. Chem. Phys., 2010,12, 10476-10493

DOI: 10.1039/C002656E
Received 08 Feb 2010, Accepted 12 Jun 2010
First published online 05 Jul 2010
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