| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9577470 | Chemical Physics Letters | 2005 | 6 Pages |
Abstract
Vibrational energy transfer from the O-H stretching modes in liquid water is studied by using QM/MM simulations and principal mode analysis (PMA). Two energy relaxation time scales of 0.6-0.7 and 0.3Â ps are obtained by decorrelating the vibrational energy into principal modes. The longer time is interpreted as a vibrational energy relaxation (VER) process from the solute to bath, while the shorter time scale is attributed to an intramolecular vibrational energy redistribution (IVR) between the two O-H stretching modes.
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Authors
Haitao Dong, Ralph A. Wheeler,