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Keyword [First principle]
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1. The First-principle Calculations For MgB2, Ternary Silicides And KMgF3
2. High-Pressure Behavior And Spectracopic Properties Of Engetic Materials: Atomic Simulations
3. The Investigation Of The TiAl Based Co2TiAl Alloy By First Principle Calculations
4. First Principle Investigations On Electron Transport Through Single Molecule
5. First-principle Calculation On Magnetic And Electric Properties Of New Spinel Half-metals
6. First-principles Study On KNbO3/NaNbO3 Superlattice And Domain In KNbO3
7. Study Of Electronic Properties Of Diamond Semiconductor
8. First Principle Study On Forsterite Properties Under High Pressure And Temperature
9. A First-Principles Study Of Silane (SiH4) And Disilane (Si2H6) Under High Pressures
10. First Principle Study On Energy Application Of Metal Cluster
11. First-principle Studies The Property Of The Diluted Magnetic Semiconductors Doped With Ca,Ti,C And The Binuclear Manganese Molecular Magnet
12. Computational Physics Studies: From Atomic Fine-structure To Crystal Equation Of State
13. Theoretical Studies Of The Behavior Of Alkali Metals Sodium,potassium And Its Compounds Under High Pressure
14. High Pressure Properties Of Simple Elemental Metals And Related Intermetallics: Ab Initio Studies
15. Studies Of Phase Transition In Solid Nitrogen Under High Pressure And Theoretical Prediction Of The Superhard Carbon Nitride Materials
16. High Pressure Structures And Properties In Typical Elements Magnesium And Chlorine
17. Structure Design Of Several Typical Hard Or Superconducting Functional Materials At High Pressure
18. Study Of Rare-Earth Luminescent Materials Using First Principle And Parametric Model
19. First Principle Investigation On Superconductivity And Magnetic Property Of Iron-based Compounds And MnCr Compound
20. First - Principles Study On The Effect Of Strain On Perovskite Single - Phase Multi - Iron Materials
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