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Updated: Jul 4, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

Multireference ab initio quantum mechanics/molecular mechanics study on intermediates in the catalytic cycle of

Ahmet Altun1, Devesh Kumar, Frank Neese

  • 1Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany.

The Journal of Physical Chemistry. A
|June 12, 2008
PubMed

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