Ab initio calculation with STO-3G basis sets and DFP geometry optimization method were used to study conformation stability of pentadienyl anion and its methyl substituted derivatives.

 
  • 用STO-3G基組的從頭計算和DFP梯度幾何優(yōu)化方法對戊二烯負離子(C_5H_7~-)及其甲基取代衍生物進(jìn)行了骨架優(yōu)化.
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目錄 附錄 查詞歷史
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