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Keyword [The density-functional theory]
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1. The Density Functional Theory Study Of Phosphorus And Alkaline Earth Metal Be, Mg, Ca Doped Phosphorus Clusters
2. Theoretical Study Of GaN Surface Point Defects And Diffusion
3. The First Principle Calculations For The Crystal Structure And Thermodynamics Propertites Of Metal Vanadium And Lead-Tin Alloy
4. The Density Functional Theory Research Of Ag Atoms Adsorbed In TiO2(110) Surface
5. Structural, Electronic And Magnetic Properties Of Gadolinium Oxide Clusters:the Density Functional Theory Investigation
6. Scandium, Yttrium And Erbium Metal Hydrogen, Helium In The Behavior Of The Density Functional Theory Study
7. Structural, Electronic And Magnetic Properties Of CoPt Alloy Clusters:the Density Functional Theory Investigation
8. The Density Functional Theory Study Of Two-Dimensional Electrode Materials:Germanene,Silicene And MXenes
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