MECHANISM OF ISOMERIZATION IN DITHIETANE-1,3-DIOXIDE

Autor: CONTRERAS, J.GUILLERMO, GERLI, LORENA A., HURTADO, S.MARCELA, MADARIAGA, SANDRA T.

Publikováno v: Journal of the Chilean Chemical Society v.49 n.4 2004
SciELO Chile
CONICYT Chile
instacron:CONICYT
Journal of the Chilean Chemical Society, Volume: 49, Issue: 4, Pages: 327-332, Published: DEC 2004

The cis ¤ trans isomerization reaction of dithietane-1,3-dioxide ( DTDO) has been studied by means of theoretical methods in the framework of molecular orbital theory. The energetics of this reaction was obtained with several basis sets and levels i

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