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
Molecular dynamic simulations of polyacrylonitrile in ethanol and water solvents
✍ Scribed by José M. Pires; Osmair V. de Oliveira; Luiz C.G. Freitas; Eloi A. da S. Filho; Adilson R. Prado
- Book ID
- 119221087
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 413 KB
- Volume
- 995
- Category
- Article
- ISSN
- 2210-271X
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