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Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations
- 1.Zgarbová, M., Otyepka, M., Šponer, J., Hobza, P., Jurečka, P. Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations. Physical Chemistry Chemical Physics. 2010, 12(35), 10476-10493. ISSN 1463-9076. E-ISSN 1463-9084. Dostupné z: doi: 10.1039/c002656e
Počet záznamů: 1