Electronic charge distribution in hof: AB initio result
β Scribed by Tae-Kyu Ha
- Book ID
- 103203819
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 193 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0022-2860
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Ab initio calculations using the STO-3G, 6-31G, and 6-31G \* \* basis sets are used to investigate charge distribution in tetracyclododecane alcohols. The calculated net atomic charges using fully optimized geometries indicate that certain carbon and hydrogen atoms in the proximity of a nonbonding o
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