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AB initio study of the conformation of 1,4-dithiin

✍ Scribed by V. Galasso

Book ID
119115585
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
227 KB
Volume
85
Category
Article
ISSN
0166-1280

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Ab initio molecular orbital study of ene
Ab initio molecular orbital study of energies and conformers of 3,4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin
✍ Freeman, Fillmore; Lee, Choonsun; Po, Henry N.; Hehre, Warren J. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 228 KB πŸ‘ 2 views

Optimized geometries and energies for 3,4-dihydro-1,2-dithiin Ε½ . Ε½ . Ε½ . Ε½ . 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