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Updated: Jul 21, 2025

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
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Published on: June 9, 2023

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减少水性过渡金属替代多氧化物度状态计算的度潜力的系统不确定性

Jake A Thompson1, Rebeca González-Cabaleiro2, Laia Vilà-Nadal1

  • 1School of Chemistry, University of Glasgow, Glasgow G12 8QQ, U.K.

Inorganic chemistry
|July 25, 2023
PubMed
概括

密度函数理论准确地预测了在考虑 counterions 时对聚氧甲酸盐的氧化还原潜力. 计算显示K+离子的潜在转移显著,提高了Mn和Co的精度,但由于离子对过度稳定,引入了Fe和Ru的错误.

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