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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Computational Insights into Excited State Intramolecular Double Proton Transfer Behavior Associated with Atomic

Jinfeng Zhao1, Chang Liu1

  • 1College of Physical Science and Technology, Shenyang Normal University, Shenyang 110034, China.

Molecules (Basel, Switzerland)
|August 26, 2023
PubMed

Keywords:
atomic electronegativitycharge reorganizationexcited state double proton transferexcited state hydrogen bondpotential energy surface

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