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• W2022868238 abstract "A time-domain method for calculating polarized Raman and two-dimensional infrared (2D-IR) spectra that includes the effects of both the diagonal frequency modulations (of individual molecules in the system) and the off-diagonal (intermolecular) vibrational coupling is presented. It is then applied to the case of the amide I band of liquid N,N-dimethylformamide. The non-coincidence effect in the polarized Raman spectrum and the corresponding spectral feature in the 2D-IR spectrum related to the off-diagonal vibrational coupling and delocalization of vibrational modes are discussed." @default.
• W2022868238 created "2016-06-24" @default.
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• W2022868238 date "2005-10-01" @default.
• W2022868238 modified "2023-09-24" @default.
• W2022868238 title "Time-domain calculations of the polarized Raman and two-dimensional infrared spectra of liquid N,N-dimethylformamide" @default.
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• W2022868238 doi "https://doi.org/10.1016/j.cplett.2005.07.114" @default.
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