Optimized geometries and energies for 3,4-dihydro-1,2-dithiin Ž . Ž . Ž . Ž . 1 , 3,6-dihydro-1,2-dithiin 2 , 4H-1,3-dithiin 3 , and 2,3-dihydro-1,4-dithiin 4 were calculated using ab initio 6-31G U and MP2r6-31G U rr6-31G U methods. At the MP2r6-31G U rr6-31G U level, the half-chair conformer of 4
Ab initio molecular orbital calculations of 3,4-dihydro-1,2-dioxin, 3,6-dihydro-1,2-dioxin, 4H-1,3-dioxin (1,3-diox-4-ene), and 2,3-dihydro-1,4-dioxin (1,4-dioxene)
✍ Scribed by Freeman, Fillmore; Lee, Choonsun; Hehre, Warren J.; Po, Henry N.
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 277 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0192-8651
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