243. “Comparative modelling studies on 3,6-substituted 1,2,4-trioxan-5-ones”
     Jefford, C.W.; Bernardinelli, G.; Josso, M.C.; Morgantini, P.-Y.; Weber, J.
     J. Mol. Struct. Theochem 1995, 337, 31-37.

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.

DOI : 10.1016/0166-1280(94)04110-E 

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