Vibrational contributions to vicinal proton–proton coupling constants3JHH
نویسندگان
چکیده
منابع مشابه
Peptide bond vibrational coupling.
Neutral trialanine (Ala3), which is geometrically constrained to have its peptide bond at Phi and Psi angles of alpha-helix and PPII-like conformers, are studied at the B3LYP/6-31+G(d,p) level of theory to examine vibrational interactions between adjacent peptide units. Delocalization of the amide I, amide II, and amide III3 vibrations are analyzed by calculating their potential energy distribu...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2010
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268971003630687