Keyword [density functional]
Result: 141 - 160 | Page: 8 of 10 |
| 141. | First-principles Study Of The Adsorption Of H2 Molecule On Zirconium Clusters And ZrnCr Clusters |
| 142. | N-doped Effect On M Clusters (m=fe, Co, Ni) And Theoretical Investigation For Structure Evolution Of Gold Clusters |
| 143. | Titanium-carbon Nanotubes And Endohedral Metallofullerenes: A DFT Investigation |
| 144. | First-Principle Studies Of Electronic Structure And Phonons In NaxCoO2 Material |
| 145. | Transport Properties Of Spin Electron In Quantum Point Contact |
| 146. | Structural And Electronic Properties Of Rhn-1(TM)(n=2-8)clusters Studied By Density Functional Theory (TM=Cr,Mn,Fe,Co,Ni, Cu) |
| 147. | The Computational Simulation Study On Bulk Moduli Of Ⅱ-Ⅲ2-Ⅵ4 Semicoductors |
| 148. | Frist Principles Study Of Electronic Structures And Trend Of Pressure Coefficients Of ZnGa2X4(X=S,Se,Te) |
| 149. | Theoretical Study On The Properties Of The Helium Behavior In Palladium And Palladium Tritide |
| 150. | The Study Of Hydrogen Storage Mechanism For Material Based On Transition Metal |
| 151. | Configuration And Electronic Properties Of Graphene And GNRs On Si Surface |
| 152. | Theoretical Study Of GaN Surface Point Defects And Diffusion |
| 153. | Noble And Alkali Adatoms On Si(111)31/2×31/2-Ag Surface: A First-principles Study |
| 154. | The Research On Transport Properties Of Molecular Devices |
| 155. | First-principles Study Light Metal LiAlH4,LiBH4 Hydrogen Storage And Desorption |
| 156. | A DFT Investigate On Mn, Fe, Co And Ni-encapsulated Alkali-metal Magnetic Superatoms |
| 157. | DFT Investigations On The Double Perovskite Ba2FeReO6 |
| 158. | Stable Structures And IR Spectra Of Protonated Ammonia Water Clusters |
| 159. | First-principles Studies Of The Electric Dipole Properties Of Metal Clusters |
| 160. | First Principles Study Of Catalytic Reaction Mechanism On Noble Metal Surface And Nanoparticle |
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