Coupled cluster calculations of the potential energy surfaces and spectroscopic constants of SiF2, PF+2, SO2, PO−2, and ClO+2
✍ Scribed by Pak, Youngshang; Woods, R. Claude
- Book ID
- 121328326
- Publisher
- American Institute of Physics
- Year
- 1996
- Tongue
- English
- Weight
- 331 KB
- Volume
- 104
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.471794
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Calculations of the ESR coupling constants of the r;-radicals NF2 md PFI in double-zeta bases of gaussian type orbit& are described. The uruestricteti Hartrcc-Fock method using the wavefunction before and after annihilation of the contami. nating quartet component gives values in poor ageement with
## Abstract Localized valence molecular orbitals have been obtained for SO, SO~2~F~2~, ClO~3~F and SOCl~2~ by the method due to Boys and Foster. The bonding in these molecules, in which the second row atom is exhibiting an excess valency, is discussed in terms of the form of these localized orbital