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Xps measurement and molecular orbital calculation of valence band electronic structure of sodium cyanate

✍ Scribed by F.J. Owens; J. Sharma


Book ID
107732463
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
249 KB
Volume
74
Category
Article
ISSN
0009-2614

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Molecular structure and electronic spect
✍ Tsuguo Sato; Masahiro Kataoka πŸ“‚ Article πŸ“… 1997 πŸ› Journal of Heterocyclic Chemistry 🌐 English βš– 194 KB πŸ‘ 1 views

## 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