以密度函数理论 (DFT) 为基础的马拉普拉德反应机制以周期酸氧化乙烯糖醇

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Agata Kołodziejczyk1, Mikołaj Błaziak2, Kinga Podgórniak3,4

  • 1Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw 01-224, Poland.

Physical chemistry chemical physics : PCCP
|August 4, 2023
PubMed
概括

密度函数理论 (DFT) 的计算揭示了使用周期酸的α-糖醇的Malaprade氧化裂变的详细机制. 这项研究完善了现有的模型,为反应途径和过渡状态提供了分子洞察力,以提高化学理解.

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