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Ab Initio Constrained Molecular Dynamics

This folder holds the following references to publications, sorted by year and author.

There is only a single reference in this bibliography folder.


Curioni, A, Sprik, M, Andreoni, W, Schiffer, H, Hutter, J, and Parrinello, M (1997).
Density Functional Theory-Based Molecular Dynamics Simulation of Acid-Catalyzed Chemical Reactions in Liquid Trioxane
Journal of the American Chemical Society, 119(31):7218-7229.

 
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