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Updated: May 13, 2026

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

Published on: July 19, 2019

Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles

Yoshiharu Mori1, Yuko Okamoto

  • 1Department of Physics, Graduate School of Science, Nagoya University, Nagoya, Aichi 464-8602, Japan. ymori@ims.ac.jp

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|March 19, 2013
PubMed

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