Small-ring cyclic alkynes: ab initio molecular orbital study of cyclopentyne
β Scribed by Olivella, Santiago.; Pericas, Miquel A.; Riera, Antoni.; Sole, Albert.
- Book ID
- 126072685
- Publisher
- American Chemical Society
- Year
- 1986
- Tongue
- English
- Weight
- 724 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0002-7863
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Various dlmer configurations of iluoroform have been mdied by means of the GAUSSIAN-70 &on&n usmg the rnmlmal STO-3G basis set The largest dunenzation energy, 0 68 kul/mol. occurs in an end-to-end bnear geometry wth a H...F distance. of 2 3 A and the electron donor molecule tilted at 45O with respec