Density-Functional-Theory-Based Molecular Dynamics Study of 1,3,5-Trioxane and 1,3-Dioxolane Protolysis

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By: A. Curioni (Scuola Normale Superiore, It.), W. Andreoni, J. Hutter, H. Schiffer (Hoechst. AG Sci. Computing, Germ.), M. Parrinello

Published in: American Chemical Society. Journal, volume 116, (no 25), pages 1251-5 in 1994

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