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Theoretical analysis of the structure of monocyclic oxocarbon dianions [CnOn]−2 (n = 3, 4, 5, 6)

✍ Scribed by Claude Leibovici


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
314 KB
Volume
13
Category
Article
ISSN
0022-2860

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Spectroscopic and theoretical studies of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane are presented. Molecular dynamics calculations were performed to scan the conformational space of the molecule. Density functional calculations were carried out on the stable conformers to obtain a better description of m