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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Published on: July 19, 2019

Significant nonadiabatic effects in the S(1D) + HD reaction

Tian-Shu Chu, Ke-Li Han, George C Schatz

    The Journal of Physical Chemistry. A
    |August 10, 2007
    PubMed
    Summary

    Nonadiabatic quantum dynamics reveal significant spin-orbit coupling effects. These findings help explain discrepancies in intramolecular isotope effects observed in chemical reactions.

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