Amide I vibrational modes in glycine dipeptide analog: Ab initio calculation studies

Sangyob Cha, Sihyun Ham, Minhaeng Cho

Research output: Contribution to journalArticle

69 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

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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