The ground states of methyl vinyl siloxane under different intense electric fields ranging from 0 to 0.04 a. u. were optimized using density functional theory DFT/B3P86 at 6-311++G(d,p) level.

 
  • 采用密度泛函B3P86方法在6-311++G(d;p)基组水平上优化得到了沿分子轴方向不同外电场(0-0.;04a
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