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

Marie Zgarbová, Michal Otyepka, Jiří Šponer, Pavel Hobza, Petr Jurečka
  • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/c002656e