The vibrations of borazine derivatives—II: A force field for borazine
✍ Scribed by E. Huler; E. Silberman; E.A. Jones
- Book ID
- 113372450
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 461 KB
- Volume
- 26
- Category
- Article
- ISSN
- 1386-1425
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Rcccivcd 23 Dcccmbcr 1981; in final form 23 rcbruary I982 Ab initlo and lNDO/S ~~lculal~ons WAC carried OUI on borazinc and the boraunc radical ation. ~hc rust three bands of the photoclcctron Spectra arc Well predicted from the molecular orbllnl struclurc of the nculra1,dlscrcp.mc~e.s for the In&r-
## Abstract A class II valence force field covering a broad range of organic molecules has been derived employing __ab initio__ quantum mechanical “observables.” The procedure includes selecting representative molecules and molecular structures, and systematically sampling their energy surfaces as