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Updated: Aug 23, 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

Quantum Monte Carlo for electronic excitations of free-base porphyrin

Alan Aspuru-Guzik1, Ouafae El Akramine, Jeffrey C Grossman

  • 1Department of Chemistry, Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720-1460, USA.

The Journal of Chemical Physics
|July 23, 2004
PubMed

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