Use of the virial theorem in modeling the potential energy surfaces for triatomic collinear reactions
โ Scribed by Roman F. Nalewajski
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 454 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
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๐ SIMILAR VOLUMES
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
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