Calculation of potential energy parameters form crystalline state properties
β Scribed by Halicio??lu, T. ;Pound, G. M.
- Publisher
- John Wiley and Sons
- Year
- 1975
- Tongue
- English
- Weight
- 269 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0031-8965
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π SIMILAR VOLUMES
Abstraet---Conformational energy calculations have been performed on the isolated chain in the crystalline state of polyesters of the series having formula [-1,4-C6H4C(CH3)=N-N--C(CH3)-I,4-C6HaOOC(CH2)n\_ 2COO-]x, with 8 ~< n ~< 12, showing nematic mesophases with odd-even effects. Maps of the confo
Detailed calculations of the interaction potentials oFs:veral electronic states of the Li; molecule have been czkd out in which t'nc mclecule is described as a sir& electron moving in the field of two polarizd~le COICS-. Comparison with the ab initio mnny-dectron calculations of Michels su\_gests th