A semiempirical molecular orbital calculation of borazine and some B-trifluoroborazines
β Scribed by Virginia M. Scherr; Daniel T. Haworth
- Publisher
- Springer
- Year
- 1971
- Tongue
- English
- Weight
- 290 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The molecular structure of ellagic acid has been optimized by using PM3 semiempirical MO method. Ellagic acid has been calculated to be planar with the molecular symmetry of __C__~2h~. The lactone carbonyl groups are not tilted from the molecular plane. CNDO/S MO method has been used to
The effect of conformation (E/Z isomerism), nature (donor/acceptor) of substituents, and endgroups (indandione, pyrazolone, pyrazoledione) on the molecular hyperpolarizability Ξ² vec of dicyanomethylene (hetero)aromatic dyes is investigated by means of semiempirical (AM1, ZINDO) molecular orbital cal
From the Ph. D. thesis of M . N . [l]. We call diepoxides 'open-chain' diepoxides, if they are not part of a larger ring system.