A hybrid approach combining energy density analysis with the interaction energy decomposition method

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Updated: Aug 22, 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

Yoshiumi Kawamura1, Hiromi Nakai

  • 1Department of Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555, Japan.

Journal of Computational Chemistry
|September 18, 2004
PubMed

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