An ab initio study of SiC2 protonation
β Scribed by J.R. Flores; A. Largo-Cabrerizo; J. Largo-Cabrerizo
- Book ID
- 119116656
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 739 KB
- Volume
- 148
- Category
- Article
- ISSN
- 0166-1280
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An ab initio study of the low-lying states of protonated Sis was carried out at the HF/6-31G\*\* level. Five states were studied: 'A, ( I), 'A, (2), 'C+, 'A' and 'B,. 'A,(2) and 'Z+ were found to he transition states at the Hanree-Foek level. 'A' and 'B2 are the two possible candidates for the groun
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