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Structures and properties of 1,4-dithiins and related molecules

✍ Scribed by Miguel A. Mendez-Rojas; Satish G. Bodige; Krzysztof Ejsmont; William H. Watson

Book ID: 110323482
Publisher: Springer
Year: 2001
Tongue: English
Weight: 176 KB
Volume: 31
Category: Article
ISSN: 1572-8854
DOI: 10.1023/a:1013722518076

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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