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

Kijeong Kwac; Minhaeng Cho

doi:10.1063/1.1580808

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

Kijeong Kwac, Minhaeng Cho

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

147 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 language	English
Pages (from-to)	2256-2263
Number of pages	8
Journal	Journal of Chemical Physics
Volume	119
Issue number	4
DOIs	https://doi.org/10.1063/1.1580808
Publication status	Published - 2003 Jul 22

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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

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.",

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AB - 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.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 4

ER -

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

Abstract

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