The electronic structure of the Anderson flat type [H x PtMo 6O 24 ] (8- x )- ( x =3.5?4.5 and 6) anion was calculated by using the Discrete Variational Method together with Density Functional Theory (DFT-DVM).

 
  • 運用密度泛涵理論中的離散變分方法 (DFT -DVM)對不同質(zhì)子化程度的 [HxPtMo6O2 4]( 8-x) -(x =3.;5、4
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