Comprehensive Analysis of Deuterium Isotope Effects on Ionic H3O+…π Interactions Using Multi-Component Quantum

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Taro Udagawa1, Yusuke Kanematsu2, Takayoshi Ishimoto2

  • 1Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, Gifu, Japan.

Journal of Computational Chemistry
|December 20, 2024
PubMed

Keywords:
H/D isotope effectsOH…π interactionnatural energy decomposition analysisnuclear quantum effects

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