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Barrier to internal rotation in hydrogen persulphide

✍ 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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πŸ“œ SIMILAR VOLUMES


Barrier to internal rotation in hydrogen
✍ F. Grein πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 290 KB

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

Barrier to internal rotation in allene
✍ Jean-Marie AndrΓ©; Marie-Claude AndrΓ©; Georges Leroy πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 304 KB

All electrons SCF-LCAO-MO computation for the barrier to internal rotation in allene is presented. The basis functions are contracted Gaussian orbitals. Theoretical results are discussed and related to available experimental data. In this work we report an all electron computation of the potential b