Theoretical study of the structurally nonrigid ions LiP2+, HP2+, and H3P2+
β Scribed by V. V. Yakobson; T. S. Zyubina; O. P. Charkin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1990
- Tongue
- English
- Weight
- 348 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio molecular orbital theory using basis sets up to 6-311G\*\*, with electron correlation incorporated via configuration interaction calculations with single and double substitutions, has been used to study the structures and energies of the C,H, monocation and dication. In agreement with rece
Structuresof (HrO), (W20), H+(HaO)zo (HW20) and H+(HrO)rr (HW21) clusters were determined by applyingtheZemer's intermediate neglect of differential overlap self-consistent field unrestricted Hat-tree-Fock (ZINDO SCF UHF) method after appropriate parametrization and yield a dodecahedral arrangement