Other articles related with "density functional theory calculations":
107103 M A Hadi, M S Ali
  New ordered MAX phase Mo2TiAlC2: Elastic and electronic properties from first-principles
    Chin. Phys. B   2016 Vol.25 (10): 107103-107103 [Abstract] (530) [HTML 1 KB] [PDF 7476 KB] (457)
37102 Wen-Liu Zhou(周文流), Zong-Yan Zhao(赵宗彦)
  Electronic structures of efficient MBiO3 (M = Li, Na, K, Ag) photocatalyst
    Chin. Phys. B   2016 Vol.25 (3): 37102-037102 [Abstract] (617) [HTML 0 KB] [PDF 1939 KB] (678)
17301 Deng Yong-He(邓永和)
  Effects of O defects on adsorption of small Ag clusters on a MgO(001) surface
    Chin. Phys. B   2010 Vol.19 (1): 17301-017301 [Abstract] (1367) [HTML 1 KB] [PDF 504 KB] (647)
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