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Nonequilibrium molecular-dynamics study of the vibrational energy relaxation of peptides in water

✍ Scribed by Nguyen, Phuong H.; Stock, Gerhard

Book ID
120817597
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
398 KB
Volume
119
Category
Article
ISSN
0021-9606

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Vibrational relaxation of Iβˆ’2 in water and ethanol: molecular dynamics simulation
✍ Ilan Benjamin; Robert M. Whitnell πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 461 KB

The vibrational relaxation of 1, in water and ethanol is studied using molecular dynamics simulations. In both solvents, the relaxation rate is x 0.6-0.7 ps, in qualitative agreement with the experiments of Barbara and co-workers. A landau-Teller model for the relaxation rate is in good agreement wi