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Updated: Feb 17, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

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興奮状態のプロトンの移転は,水と2−オクサゾル2−イール3−ヒドロキシクロモンの 1:1複合体で起こされる

Dipangkali Sarma1, Sai G Ramesh1

  • 1Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India. dipangkalis@iisc.ac.in.

Physical chemistry chemical physics : PCCP
|February 16, 2026
PubMed
まとめ

水分子は,2-(オクサゾル-2-イル) -3-ヒドロキシクロモーン (OHC) コンフォマーにおける興奮状態の陽子伝達 (ESPT) を媒介する. ダイナミクスは,陽子ドナー/受容体の役割と水素結合によって異なり,転送経路に影響します.

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