The DF-LCCSD(T0) correction of the .fi./.psi. force field dihedral parameters significantly influences the free energy profile of the alanine dipeptide

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SYSNO	0369287
Title	The DF-LCCSD(T0) correction of the .fi./.psi. force field dihedral parameters significantly influences the free energy profile of the alanine dipeptide
Author(s)	Vymětal, Jiří (UOCHB-X) [610/61]_{RID, ORCID} Vondrášek, Jiří (UOCHB-X) [610/61]_{RID, ORCID}
Source Title	Chemical Physics Letters. Roč. 503, 4/6 (2011), s. 301-304. - : Elsevier
Document Type	Článek v odborném periodiku
Grant	GAP208/10/0725 GA ČR - Czech Science Foundation (CSF)
	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	LH11020 GA MŠMT - Ministry of Education, Youth and Sports (MEYS), CZ - Czech Republic
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
Language	eng
Country	NL
Keywords	conformational preferences * quantum-mechanics * gas-phase * simulations * peptides
Permanent Link	http://hdl.handle.net/11104/0006738

Number of the records: 1