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- W4231510425 abstract "Ab initio classical trajectory calculations have been applied to the intramolecular vibrational energy redistribution process of an O-H stretching vibration for phenol cation, [phenol]+, and its hydrogen-bonded water complex, [phenol-water]+. In phenol cation, a single narrow peak in the power spectrum, obtained by Fourier transformation of the autocorrelation function of its total momentum, indicates that the initial energy given to the O-H stretching oscillator of the phenol moiety is conserved and no energy flow occurs. On the other hand, for phenol-water cation, the calculated broadened power spectrum implies that the initial energy is not conserved and the energy flow causes an energy redistribution among various vibrational modes." @default.
- W4231510425 created "2022-05-12" @default.
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- W4231510425 date "2004-07-14" @default.
- W4231510425 modified "2023-10-17" @default.
- W4231510425 title "Classical trajectory calculations of intramolecular vibrational energy redistribution. II. Phenol-water complex" @default.
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- W4231510425 doi "https://doi.org/10.1063/1.1767812" @default.
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