Conformational dependence of the second hyperpolarizability of quadrupolar molecules
✍ Scribed by Emildo Marcano; Emilio Squitieri; Juan Murgich; Humberto Soscún
- Book ID
- 108285983
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 375 KB
- Volume
- 911
- Category
- Article
- ISSN
- 0166-1280
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We investigated an interesting behavior in electron correlation and Ž . structure dependencies of the second hyperpolarizability ␥ of the ethylene model. The ␥ values of the ethylene model with plain and twisted structures were examined using various ab initio MO methods. ␥ was found to be largely c