Based on density functional theory(DFT) and B3LYP method, we made a theoretical study of the reaction system involving organic transitional metal compound and the (Salen)Mn(V)-catalyzed epoxidation.

 
  • 本文采用密度泛函理論B3LYP方法對有機過(guò)渡金屬化合物參與的化學(xué)反應體系進(jìn)行了理論研究。
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