Mo studies on the structure of thianthrene and its cation radicals (the ground state and first excited states) and some of their chemical properties
✍ Scribed by Karl Anker Jørgensen
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- French
- Weight
- 305 KB
- Volume
- 42
- Category
- Article
- ISSN
- 0040-4020
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In contrast with previous studies, it is found that the most stable structure of the GeH: radical cation has C, symmetry and the relative stability decreases in the order C,> Crv> D2.+ In addition no Cgv structure can be a minimum on the potential energy surface of GeH: . The most stable C, structur
## Abstract Molecular structure, first excited state properties and charge distribution of a series of substituted stilbazolium cations in different media are theoretically investigated. First static hyperpolarizability (β~0~) of considered compounds is studied by both finite‐field and two‐state mo