An ab initio study of the heptahydrodiborate (B2H7-) anion
β Scribed by Sapse, Anne Marie; Osorio, Louis
- Book ID
- 126992118
- Publisher
- American Chemical Society
- Year
- 1984
- Tongue
- English
- Weight
- 280 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0020-1669
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π SIMILAR VOLUMES
The present paper represents the first part of an extensive theoretical study on the electronic spectrum of B 2 H 2 . The results of ab initio calculations of the vertical spectrum and the trans-and cis-bending potential curves for the lowlying triplet and singlet electronic states are reported. Spe
The results of ab initio calculations of the potential curves for the torsional motion, symmetric H-B stretching, and B-B stretching in low-lying valence-and Rydberg-character triplet and singlet electronic states of B 2 H 2 are reported. Particularly, the dissociation process B 2 H 2 r BH / BH out