The reaction mechanisms of displacement reaction and epoxidation reaction during the synthesis of 5-oxatricyclo[7.4.1.03,7]tetradeca-1,3(7),8,10,12-pentaene have been studied by using ab initio molecular orbital theory and density functional theory(DFT).

 
  • 用从头计算方法和密度泛函理论(DFT)研究了5-氧杂三环[7.;4
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