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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

Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the

Jirí Vanícek1, William H Miller

  • 1Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA. vanicek@post.harvard.edu

The Journal of Chemical Physics
|September 25, 2007
PubMed

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