𝔖 Bobbio Scriptorium
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AB initio study on the CIS-TRANS energetics of polyacetylene

✍ Scribed by Teramae, Hiroyuki


Book ID
123028804
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
48 KB
Volume
19
Category
Article
ISSN
0379-6779

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πŸ“œ SIMILAR VOLUMES


Energetics of the disulfide bridge: An a
✍ Weili Qian; Samuel Krimm πŸ“‚ Article πŸ“… 1993 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 892 KB

The energetics of the Xyx3X; portion of the disulfide bridge have been obtained from an ab initio study of diethyl disulfide. Calculations at the 3-21G\* level were done on relaxed structures at every -30" in X: and X;, and the additional energies for small AX3 were obtained. Complete E ( x : , Xi)