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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

SYSNO	0352250
Title	Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set
Author(s)	Gráfová, L. (CZ) Pitoňák, Michal (UOCHB-X) [610/61] Řezáč, Jan (UOCHB-X) [610/61]_{RID, ORCID} Hobza, Pavel (UOCHB-X) [610/61]_{RID, ORCID}
Source Title	Journal of Chemical Theory and Computation . Roč. 6, č. 8 (2010), s. 2365-2376. - : American Chemical Society
Document Type	Článek v odborném periodiku
Grant	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
Language	eng
Country	US
Keywords	correlation energy * benchmark data * method testing
Permanent Link	http://hdl.handle.net/11104/0191800

Number of the records: 1