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Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions
- 1.0345379 - BFÚ 2011 RIV GB eng J - Journal Article
Morgado, Claudio A. - Jurečka, P. - Svozil, D. - Hobza, P. - Šponer, Jiří
Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions.
Physical Chemistry Chemical Physics. Roč. 12, č. 14 (2010), s. 3522-3534. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GA203/09/1476; GA MŠMT(CZ) LC06030
Grant - others:GA MŠk(CZ) LC512
Program: LC
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : quantum chemistry * stacking * force field
Subject RIV: BO - Biophysics
Impact factor: 3.454, year: 2010
Permanent Link: http://hdl.handle.net/11104/0186660
Number of the records: 1