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A Protocol for Electrochemical Evaluations and State of Charge Diagnostics of a Symmetric Organic Redox Flow Battery
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过渡状态强力场对不对称的反氧-继电器背部反应

Anthony R Rosales1, Sean P Ross2, Paul Helquist1

  • 1Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Journal of the American Chemical Society
|April 7, 2020
PubMed
概括

一个新的过渡状态力场 (TSFF) 准确地预测了对抗选择性赫克反应的立体选择性. 这种计算方法加速了复杂有机反应的绝对立体化学的确定.

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