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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Zgarbova, M; Otyepka, M; Sponer, J; Hobza, P; Jurecka, P, 2010: 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 12(35), p. 10476 - 10493, doi: 10.1039/c002656e