Keyword [density functional theory]
Result: 121 - 140 | Page: 7 of 10 |
| 121. | First-Principles Study Of Electronic Structure And Thermoelectric Power Of NaxCoO2 System |
| 122. | Molecular Dynamic Calculation On The Reaction Of Several Radical |
| 123. | Structural, Electronic And Magnetic Properties Of Con-xMnx(n=0-9, X=0-9) Clusters For Density Functional Calculations |
| 124. | First-principles Study On Electronic Transport In Metal/Organic Molecule/Metal Junctions |
| 125. | First-principles Study On Magnetic Properties Of Defects In BN |
| 126. | Calculation Of The Molecular Structure And Electronic Properties Of Conductive Polymer PEDOT/PSS Based On First Principles |
| 127. | First-Principles Study Of Adsorption Properties On Doped Aluminium Oxygen Clusters |
| 128. | First-principles Study Of The Adsorption Of H2 Molecule On Zirconium Clusters And ZrnCr Clusters |
| 129. | N-doped Effect On M Clusters (m=fe, Co, Ni) And Theoretical Investigation For Structure Evolution Of Gold Clusters |
| 130. | Titanium-carbon Nanotubes And Endohedral Metallofullerenes: A DFT Investigation |
| 131. | First-Principle Studies Of Electronic Structure And Phonons In NaxCoO2 Material |
| 132. | Transport Properties Of Spin Electron In Quantum Point Contact |
| 133. | Structural And Electronic Properties Of Rhn-1(TM)(n=2-8)clusters Studied By Density Functional Theory (TM=Cr,Mn,Fe,Co,Ni, Cu) |
| 134. | Frist Principles Study Of Electronic Structures And Trend Of Pressure Coefficients Of ZnGa2X4(X=S,Se,Te) |
| 135. | Theoretical Study On The Properties Of The Helium Behavior In Palladium And Palladium Tritide |
| 136. | The Study Of Hydrogen Storage Mechanism For Material Based On Transition Metal |
| 137. | Configuration And Electronic Properties Of Graphene And GNRs On Si Surface |
| 138. | Theoretical Study Of GaN Surface Point Defects And Diffusion |
| 139. | Noble And Alkali Adatoms On Si(111)31/2×31/2-Ag Surface: A First-principles Study |
| 140. | The Research On Transport Properties Of Molecular Devices |
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