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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Revealing Intramolecular Isotope Effects with Chemical-Bond Precision

Xiang Zhu1, Jiayu Xu1, Yao Zhang1,2

  • 1Hefei National Research Center for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information & Quantum Physics, New Cornerstone Science Laboratory, University of Science and Technology of China, Hefei, Anhui 230026, China.

Journal of the American Chemical Society
|June 20, 2023
PubMed

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