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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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The Molpro quantum chemistry package

Hans-Joachim Werner1, Peter J Knowles2, Frederick R Manby3

  • 1Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.

The Journal of Chemical Physics
|April 17, 2020
PubMed

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