Force distribution analysis of mechanochemically reactive dimethylcyclobutene.

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Li, W.; Edwards, S.; Lu, L.; Kubar, T.; Patil, S.; Grubmüller, H.; Groenhof, G.; Gräter, F.;
(2013)

Internal molecular forces can guide chemical reactions, yet are not straightforwardly accessible within a quantum mechanical description of the reacting molecules. Here, we present a force-matching force distribution analysis (FM-FDA) to analyze internal forces in molec... View more
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