Keyword [Density-functional theory]
Result: 81 - 100 | Page: 5 of 10 |
| 81. | A Theoretical Study On Geometries And Electronic Structure Of Gold Clusters |
| 82. | The Research On Intermediate Phase Hydrides And The Behavior Of Helium Atoms In LaNi5-based Hydrogen Storage Material |
| 83. | The Study Of Molecular Structures Properties, Thermodynamic Properties For Zr-H (D, T) System And Excited States Of Ti-H System |
| 84. | Theoretical Study Of Molecular Nitrogen Adsorption On W_n Clusters |
| 85. | The DFT Study Of Diffusion Barrier And KMC Simulation Of Long-range Interactions On Cu(111) Surface |
| 86. | Theoretical Investigation On Geometries And Electronic Properties Of The Neutral And Charged Nb2Sin(n=1～6) Clusters |
| 87. | First-principles Study On The Electronic Structures And Magnetism Of Double Perovskites Sr2Fe1-xCrxMoO6 |
| 88. | First-principles Calculation Of Electronic Structures Of The Wurtzite CdxZn1-xO And Zincblende CdxZn1-xSe |
| 89. | First Principles Study Of The Stability Of AlMg_n Clusters And The Magnetic Properties Of AlSc_n Clusters |
| 90. | Investigation Of NiSi_n And Y_nAl Clusters Based On Density Functional Theory |
| 91. | First Principles Studies Of Zr_nCo Clusters And Transition-Metal Boride/Nitride |
| 92. | Density Functional Theory Study Of The NiMg_n,ZrB_n Clusters |
| 93. | A Computational Investigation Of Transition Metal Doped Silicon Clusters By Using Density Functional Theory |
| 94. | Structural And Electronic Properties Of MB_n (M=Cr, Mn, Fe, Co, Ni, N≤7) And MB_n (M=Y, Zr, Nb, Mo, Ru, N≤10) Clusters By Density Functional Theory |
| 95. | The Density Functional Theory Study Of Phosphorus And Alkaline Earth Metal Be, Mg, Ca Doped Phosphorus Clusters |
| 96. | Theoretical Investigation On Fe3C2 And Ga3N3 Clusters |
| 97. | Research On Permeability Of NaK Channel |
| 98. | Endohedral Metallofullerenes And Metallo-Carbohedrenes: A DFT Investigation |
| 99. | The Stability And Magnetic Moments Of Small Ni-H Clusters: A Study Based On All-electron DFT |
| 100. | Silicon-Carbon Clusters And Golden Cages: DFT Investigation |
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