Thegeometry structures of six selected model systems 2,6-dithienyl acene oligomer(nDTA,n=0-5)are optimized by means of DFT methods with B3LYP functional at 6-31G* basis set level.

 
  • 應用密度泛函理論B3LYP方法在6-31G(d)基組水平上計算了系列2,6-二噻吩基并苯齊聚物(nDTA,n=0-5)。
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