Molecular dynamics simulation study of N-methylacetamide in water. II. Two-dimensional infrared pump-probe spectra

Kijeong Kwac, Minhaeng Cho

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158 Citations (Scopus)

Abstract

The 2D IR PP signal of a three-level system coupled to bath degrees of freedom was theoretically derived. Using the correlation function of the fluctuating amide I mode frequency of NMA in D2O, time-resolved 2D IR PP spectra were calculated and compared with the experimental results of Woutersen et al.

Original languageEnglish
Pages (from-to)2256-2263
Number of pages8
JournalJournal of Chemical Physics
Volume119
Issue number4
DOIs
Publication statusPublished - 2003 Jul 22

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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