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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Communication: full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular

Joshua W Allen1, William H Green, Yongle Li

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139, USA.

The Journal of Chemical Physics
|June 21, 2013
PubMed

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