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Updated: Jun 18, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Published on: July 19, 2019

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假质子转移在与结合的二次体中

Joanatan Bautista-Renedo1, Joel Ireta2

  • 1Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, Ciudad de México 09340, Mexico. joanatan_br@xanum.uam.mx.

Physical chemistry chemical physics : PCCP
|July 31, 2024
PubMed
概括

通过电子结构方法,可以预测结系统中的假质子转移 (PT) 事件. 分析孤立的分子可以帮助确定PT事件是真实的还是计算方法的工件.

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