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0369287 - ÚOCHB 2012 RIV NL eng J - Journal Article
Vymětal, Jiří - Vondrášek, Jiří
The DF-LCCSD(T0) correction of the .fi./.psi. force field dihedral parameters significantly influences the free energy profile of the alanine dipeptide.
Chemical Physics Letters. Roč. 503, 4/6 (2011), s. 301-304. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA ČR GAP208/10/0725; GA MŠMT LC512; GA MŠMT(CZ) LH11020
Institutional research plan: CEZ:AV0Z40550506
Keywords : conformational preferences * quantum-mechanics * gas-phase * simulations * peptides
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.337, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006738