Using a 4-31G Oasis set with polarization functions, the geometries of gauche-. cis-, and trans-HSSH were optimized. The gauche geometry agrees well with the experimental values. Calculated rotational bamers are 23.2 (29) kJ/mol [or trans. and 33.6 (42) kJ/mol for cis-HSSH. Both values are slightly
β¦ LIBER β¦
Barrier to internal rotation in hydrogen persulphide
β Scribed by A. Veillard; J. Demuynck
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 370 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0009-2614
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