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• W2051209845 abstract "Molecular dynamics computer simulations are carried out to estimate, via a Landau-Teller formula, the vibrational relaxation times for the proton stretch, proton bend and symmetric stretch in a model hydrogen-bonded complex solute in a model polar aprotic solvent. The estimated times are all small when compared to those of nonpolar reference systems. Analysis indicates that Coulomb solute-solvent forces play a central role in causing these short times, but that their precise role is vibrational mode-specific. Interactions of the solute with first solvent shell molecules provide the dominant source of the relaxation forces." @default.
• W2051209845 created "2016-06-24" @default.
• W2051209845 creator A5000113075 @default.
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• W2051209845 date "1993-09-01" @default.
• W2051209845 modified "2023-10-17" @default.
• W2051209845 title "Vibrational relaxation times for a model hydrogen-bonded complex in a polar solvent" @default.
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• W2051209845 doi "https://doi.org/10.1016/0301-0104(93)80238-5" @default.
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