Llcctnc dlpole moment functions and radiahre tr;msiuon rates haw been calculated ior the X '~+state of BF and the Y z~\* swc oi BP irom MC SCF uavefunctlons. Both ale prcdickd to be strong emitters m the infrared. For BF\* the elcctromcally uvxed z~\* state. corrcspondmg to the coniigunuon lo' 2a'3
β¦ LIBER β¦
Ab initio calculations of hydrogen transfers. A computational test of variations in the transition-state structure and the coefficient of rate-equilibrium correlation
β Scribed by Yamataka, Hiroshi; Nagase, Shigeru
- Book ID
- 126081901
- Publisher
- American Chemical Society
- Year
- 1988
- Tongue
- English
- Weight
- 829 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0022-3263
No coin nor oath required. For personal study only.
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