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Updated: Sep 10, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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π-π 相互作用におけるヘテロ原子効果の理解

Khue U Do1, Audrey V Conner1, Steven E Wheeler1

  • 1Department of Chemistry, University of Georgia, Athens, Georgia 30602, United States.

Journal of the American Chemical Society
|August 21, 2025
PubMed
まとめ

ヘテロアトムは,芳香系間のpi-pi相互作用を大きく変化させ,その強さと幾何学に影響を与えます. 新しいモデルは 局所的な二極体と電場に基づいて これらの効果を説明し 分子設計に役立ちます

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