We present spin-coupled VB calculations for the asymptotic regions of the potential surfaces for the (B + Hz)+ system. A large basis set is used and great care has been taken to ensure that all states lying within 13 eV of the BH+ (X 2Z \* )+ H ground state are well described. A total of 592 spin-co
✦ LIBER ✦
Potential Energy Surfaces for the S1−S0 Relaxation of trans-Diphenyldiphosphene in the P═P Rotation-Restricted Condition
✍ Scribed by Amatatsu, Yoshiaki
- Book ID
- 111937142
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 277 KB
- Volume
- 113
- Category
- Article
- ISSN
- 1089-5639
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