Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set

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SYSNO	0489837
Title	Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set
Author(s)	Řezáč, Jan (UOCHB-X) [610/61]_{RID, ORCID} Bím, Daniel (UOCHB-X) [640/64]_{ORCID, RID} Gutten, Ondrej (UOCHB-X) [640/64]_{RID, ORCID} Rulíšek, Lubomír (UOCHB-X) [640/64]_{RID, ORCID}
Corespondence/senior	Řezáč, Jan - Korespondující autor Rulíšek, Lubomír - Korespondující autor
Source Title	Journal of Chemical Theory and Computation . Roč. 14, č. 3 (2018), s. 1254-1266. - : American Chemical Society
Document Type	Článek v odborném periodiku
Grant	GA17-24155S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
	GJ16-11321Y GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
Institutional support	UOCHB-X - RVO:61388963
Language	eng
Country	US
Keywords	density functional theory * main group thermochemistry * generalized gradient approximation
Permanent Link	http://hdl.handle.net/11104/0284170

Number of the records: 1