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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed

Denis Maag1, Josua Böser1, Henryk A Witek2

  • 1Institute of Physical Chemistry, Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany.

The Journal of Chemical Physics
|April 1, 2023
PubMed

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