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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. Available: doi: 10.1039/c002656e
Number of the records: 1