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Structure of 2,3-dihydro-5-nitro-6-phenyl-1,4-dithiin

โœ Scribed by Ferguson, G. ;Kaitner, B. ;Brewer, A. D.

Book ID
114506959
Publisher
International Union of Crystallography
Year
1990
Tongue
English
Weight
446 KB
Volume
46
Category
Article
ISSN
0108-2701

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