The conventional ab initio method at the closed and open restricted Hartree-Fock levels (RHF, ROHF) and the density functional theory approach at the B3-LYP and UB3-LYP levels, using the 6-31G(+ \*) basis set, were applied to predict the molecular structures, the energetic properties (proton affinit
β¦ LIBER β¦
Some new concepts on the nature of the covalent bond based on ab initio quantum-chemical calculations
β Scribed by Dao-Kai Pan; Ze-Fu Niu; Jian-Nan Gao; San-Lin Liu
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 640 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
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