Multiscale Treatment for the Molecular Mechanism of a Diels-Alder Reaction in Solution: A. QM/MM-MD. Study

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Multiscale Treatment for the Molecular Mechanism of a Diels-Alder Reaction in Solution A QM MM-MD Study.pdf(54.85 KB)
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2016
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https://doi.org/10.1021/acs.jctc.6b00772
 https://repositorio.uc.cl/handle/11534/58109
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