## Abstract The longitudinal acoustic elastic modulus of polyethylene has been calculated with the aid of the __ab initio__ crystal orbital method applying corrections also for electronic correlation effects. The basis set and correlation dependence of the elastic modulus have been investigated. Th
Ab initio study of proton transfers including effects of electron correlation
✍ Scribed by Steve Scheiner; Malgorzata M. Szczȩlśniak; Larry D. Bigham
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 726 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0020-7608
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