The height of the barrier hindering rotation in nitrosodimethylamine
✍ Scribed by M. Simonetta; S. Carrà
- Book ID
- 112932575
- Publisher
- Società Italiana di Fisica
- Year
- 1958
- Weight
- 274 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0029-6341
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📜 SIMILAR VOLUMES
Many-body perturbation and quadratic configuration interaction calculations with several basis sets are used to estimate the height of the barrier for OH rotation in phenol. Our best estimate of the barrier height is 1076 cm-', about 130 cm-' smaller than the most recent experimental estimates. Dens
Many-body perturbation theory and quadratic configuration interaction methods have been used to calculate the energies of the minimum-energy and transition state structures of hydroquinone. These calculations lead to the predictions that the trans isomer is about 40 cm-' more stable than the cis iso