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Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set
- 1.0352250 - ÚOCHB 2011 RIV US eng J - Journal Article
Gráfová, L. - Pitoňák, Michal - Řezáč, Jan - Hobza, Pavel
Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set.
Journal of Chemical Theory and Computation. Roč. 6, č. 8 (2010), s. 2365-2376. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : correlation energy * benchmark data * method testing
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.138, year: 2010
Permanent Link: http://hdl.handle.net/11104/0191800
Number of the records: 1