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Title

Comparative modelling studies on 3,6-substituted 1,2,4-trioxan-5-ones

Authors
Jefford, Charles William
Josso, Martin C.
Published in Journal of Molecular Structure (Theochem). 1995, vol. 337, no. 1, p. 31-37
Abstract The main geometric elements of three 3,6-substituted 1,2,4-trioxan-5-ones have been calculated by using molecular mechanics (MM2), and semiempirical (AM1, PM3) methods. The results are compared with those obtained by X-ray analysis.
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Research group Groupe Weber
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JEFFORD, Charles William et al. Comparative modelling studies on 3,6-substituted 1,2,4-trioxan-5-ones. In: Journal of Molecular Structure (Theochem), 1995, vol. 337, n° 1, p. 31-37. https://archive-ouverte.unige.ch/unige:2861

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Deposited on : 2009-09-21

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