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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 capping potentials with point charges: a simple QM/MM approach for the calculation of large-molecule NMR

Seongho Moon1, Phillip A Christiansen, Gino A DiLabio

  • 1Department de Chimie, Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, Québéc, H3C 3J7, Canada.

The Journal of Chemical Physics
|July 23, 2004
PubMed

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