Ab initio crystal orbit31 ca1cuIation.s have been performed on the orgzmic poIymerpo?ymerhineimine. A structure with ~c=,I = 1.159 A, rC\_N = 1.388 A, 'C-H = 1.095 A. and L CNC = 121.0° has been found to yieId the lowest rod energy per unit cell for the aII-tmns conformation. Hence, poIymethineimine
✦ LIBER ✦
Ab initio studies on all-trans-polyene
✍ Scribed by A. Karpfen; J. Petkov
- Book ID
- 103377809
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 273 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0038-1098
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