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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
- 1.0347778 - BFÚ 2011 RIV GB eng J - Journal Article
Zgarbová, M. - Otyepka, M. - Šponer, Jiří - 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. Roč. 12, č. 35 (2010), s. 10476-10493. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA203/09/1476
Grant - others:GA MŠk(CZ) LC512; GA MŠk(CZ) GD203/09/H046
Program: LC; GD
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : amber empirical potential * DFT-SAPT * compensation of errors
Subject RIV: BO - Biophysics
Impact factor: 3.454, year: 2010
Permanent Link: http://hdl.handle.net/11104/0188476
Number of the records: 1