A LCAO-MO CNDO study of the molecular properties of the phosphoruspentachlorofluorides
โ Scribed by C. Brun; F. Choplin; G. Kaufmann
- Book ID
- 117122735
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 425 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0020-1693
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Ab-initio calculations using three large gaussian basis sets arc reported for the unstable molecule SF2. The cffcct on tbc energy and computed geometry of polarhation functions and their expcrnents is examined, and a variety of one4cciron propertics computed.
## Energy surfaces descrlbmg the motion of the hydrogen bonded proton or the metal atom m the en01 form of acetylacetone and its Li complex were calculated by a semtemptrical LCAO-MO-SCF procedure for all valence electrons (CNDO/B). CNDO/Z calculattons on the structure of the Be complex of aceeyl