An ab initio investigation of bismuth hydration
โ Scribed by Pye, C C; Gunasekara, C M; Rudolph, W W
- Book ID
- 111870237
- Publisher
- NRC Research Press
- Year
- 2007
- Tongue
- French
- Weight
- 342 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0008-4042
- DOI
- 10.1139/v07-108
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Ah initio calculations are presented for the hydration eneeJ\* of the positron. Tetrahedral molecular-dipole-oriented clusters e+(H,O), are considered. In performing these calculations, the Hartree-Fock MO LCAO SCF approximation \\ith the 4-31G split-valence basis set is used. The method \kas modifi
The geometries and vibrational frequencies of Li H O , n s 4, 5, 6, 8, 18, 2 n ลฝ . and LiX H O , X s F, Cl, Br, I; n s 3, 6 are calculated at various levels up to MP2r 2 n 6-31qG\*. The solution structure and vibrational spectra with noncoordinating counterions are most consistent with our tetracoo