Low-energy symmetric coplanar and symmetric non-coplanar (e,2e) studies from the 3a 1 state of H 2 O
β Scribed by Nixon, Kate L; Murray, Andrew James; Al-Hagan, Ola; Madison, Don H; Ning, Chuangang
- Book ID
- 119948927
- Publisher
- Institute of Physics
- Year
- 2010
- Tongue
- English
- Weight
- 423 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0953-4075
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π SIMILAR VOLUMES
Hybrid density functional theory calculations on the structures, vibrational frequencies, electron binding and dissociation energies, and bonding properties of CuO - 3 and CuO 3 species have been carried out. Stable isomers containing an O 3 subunit and composed of O 2 bound to CuO have been located
The ab initio electronic structure calculations at the MP2 and the Becke Ε½ . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ε½ . energies of the XH and XH X s C, Si, Ge