Ab initio optimizations at the HF/6-31G level and single-point calculations at the MP2/6-31G\*\*//6-31G level were performed on ethane-1,1-diol and ethane-1,1,2-triol. Their conformational properties are discussed in terms of the anomeric effect, gauche effect and internal O-H interactions. The resu
โฆ LIBER โฆ
Conformation and structure of ethane-1,2-dithiol from ab initio HF and MP3 study
โ Scribed by Nino Russo; Emilia Sicilia; Marirosa Toscanoe
- Book ID
- 119117330
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 358 KB
- Volume
- 257
- Category
- Article
- ISSN
- 0166-1280
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