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

Kijeong Kwac, Minhaeng Cho

Research output: Contribution to journalArticle

158 Citations (Scopus)


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
Issue number4
Publication statusPublished - 2003 Jul 22


ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this