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Updated: Aug 31, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with an Example of

Xiongfei Gui1, Wenbin Fan2, Jiace Sun3

  • 1Department of Physics, International Center of Quantum and Molecular Structures, and Shanghai Frontiers Science Center of Quantum and Superconducting Matter States, Shanghai200444, China.

Journal of Chemical Theory and Computation
|August 19, 2022
PubMed

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