Microscopic molecular field in critical thermodynamics
β Scribed by E.V. Kholopov
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 380 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
A comparison between experimental results measured by inelastic neutron scattering and those derived from computer simulation for two representative glasses, methanol and selenium, is presented. The common features found for the two systems are analyzed and their relevance for the understanding of t
The QCFF program originated by Warshel and Karplus4" was modified to compute accurate thermodynamic properties So, C;, (H; -Hi)/T, and AH; for various acyclic and cyclic alkenes and alkadienes. Modifications consisted of adjusted bond angle, dihedral angle, bond stretch, and bond energy parameters t