The B3LYP calculations with the 6 311+ G(d,p) basis predict vertical and adiabatic ionization potential(VIP and AIP) values of the fluorinated ethylene molecules in good agreement with the experimental values.

 
  • B3LYP/6-311+G(d;p)级别上计算的各分子的VIP和AIP值和实验值符合得很好.
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