Our SDFF for linear saturated hydrocarbon chains has been used to calculate the chain modulus of isolated and crystalline chains of n-alkanes of varying lengths. This has been done for static deformations and for the dynamic deformation in the longitudinal acoustic mode (LAM). Extrapolation to infin
Optimization of parameters of nonbonded interactions in a spectroscopically determined force field
✍ Scribed by K. Palmö; L.-O. Pietilä; S. Krimm
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 609 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0097-8485
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