Počet záznamů: 1
The DF-LCCSD(T0) correction of the .fi./.psi. force field dihedral parameters significantly influences the free energy profile of the alanine dipeptide
- 1.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
Impakt faktor: 2.337, rok: 2011
http://hdl.handle.net/11104/0006738
Počet záznamů: 1