Amide I vibrational modes in glycine dipeptide analog

Ab initio calculation studies

Sangyob Cha, Sihyun Ham, Minhaeng Cho

Research output: Contribution to journalArticle

68 Citations (Scopus)

Abstract

Coupling between two local amide I vibrational motions in glycine dipeptides was studied. The analysis was based on the assumption that the two peptides interact with each other via transition dipole coupling (TDC) model. It was found that the model was capable in quantitatively calculating spectroscopic properties like dipole moments, molecular polarizability, IR transition dipoles and intensity. Results also showed that the quantities related to the potential energy surfaces could not be accounted by TDC model.

Original languageEnglish
Pages (from-to)740-750
Number of pages11
JournalJournal of Chemical Physics
Volume117
Issue number2
DOIs
Publication statusPublished - 2002 Jul 8

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Dipeptides
glycine
Amides
Glycine
amides
vibration mode
analogs
dipoles
Potential energy surfaces
Dipole moment
peptides
dipole moments
potential energy
Peptides

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Amide I vibrational modes in glycine dipeptide analog : Ab initio calculation studies. / Cha, Sangyob; Ham, Sihyun; Cho, Minhaeng.

In: Journal of Chemical Physics, Vol. 117, No. 2, 08.07.2002, p. 740-750.

Research output: Contribution to journalArticle

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