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A non-empirical calculation on the optical rotatory power of D-lactonitrile
- Source :
- Chemical Physics Letters. 41:143-145
- Publication Year :
- 1976
- Publisher :
- Elsevier BV, 1976.
-
Abstract
- The specific rotatory power of D-lactonitrile was calculated by using ab initio molecular orbital methods to give satisfactory results, 13.2° and 12.8° based on the TDA and RPA, respectively, which are in good agreement with the observed value of 8.2°.
Details
- ISSN :
- 00092614
- Volume :
- 41
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........09cff1dbc69473884411df94554a5199