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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, J., Vondrášek, J. 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. 2011, 503(4/6), 301-304. ISSN 0009-2614. E-ISSN 1873-4448. Dostupné z: doi: 10.1016/j.cplett.2011.01.030
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