Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

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SYSNO	0370220
Title	Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries
Author(s)	Řezáč, Jan (UOCHB-X) [610/61]_{RID, ORCID} Riley, Kevin Eugene (UOCHB-X) [610/61] Hobza, Pavel (UOCHB-X) [610/61]_{RID, ORCID}
Source Title	Journal of Chemical Theory and Computation . Roč. 7, č. 11 (2011), s. 3466-3470. - : American Chemical Society
Document Type	Článek v odborném periodiku
Grant	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	CZ.1.05/2.1.00/03.0058, XE - EU countries
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
Language	eng
Country	US
Keywords	correlated molecular calculations * plesset perturbation-theory * gaussian-basis sets
Permanent Link	http://hdl.handle.net/11104/0204084

Number of the records: 1