Epoxidation mechanism of (1, 3)-butadiene over silver surface was studied by dipped adcluster model (DAM) combined with B3LYP density function theory.

 
  • 摘要采用B3LYP密度泛函方法和DAM模型對(1,3)-丁二烯環(huán)氧化機理進(jìn)行了研究。
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