Ab initio molecular orbital study of the
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Hajime Torii; Mitsuo Tasumi
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Article
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1998
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John Wiley and Sons
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English
β 325 KB
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Interrelationships among the coupling between the amide I vibrations of peptide groups, the wavenumber A-E 1 di β erence of the amide I mode and the conformation of helical polypeptide chains were examined theoretically. Ab initio molecular orbital (MO) calculations were performed for a glycine dipep