(II)

Shuo Zhang1, Zhewei Li1, Hexiang Qi1

  • 1State Key Laboratory of Chemical Resource Engineering, Institute of Computational Chemistry, College of Science, Beijing University of Chemical Technology, Beijing 100029, China. leim@mail.buct.edu.cn.

概括

密度函数理论 (DFT) 探讨了催化水合形成机制. 异质H2激活是决定速度的,有线性化物受到青,催化剂活性被电子丰富的配体增强.

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