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Keyword [first-principles study]
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1. Experimental Synthesis Of Novel B-C-N Materials And First-Principles Study Of Their Related Materials
2. First-principles Study Of Dislocation Core Structure And Impurity-dislocation Interactions
3. First-Principles Study Of The ABO3-type Rare-Earth Transition-Metal Oxides
4. First-Principles Study Of Molecular Symmetry And Chirality: Carbyne Knots And Amino Acids
5. First-Principles Study Of Interaction Between An Endohedral Atom And A Fullerene Cage
6. First-Principles Study On Structure And Ideal Strength Of Superhard Material BC2N Under Pressure
7. Synthesis And First-Principles Study Of Layered BC_x Compounds
8. First-principles Study Of The Doping And Structural Effects On The Properties Of Carbon Nanotubes
9. Several Catalytic Processes On Precious Metal Surface: A First Principles Study
10. First-Principles Study On The Structures And Properties Of Perovskite Manganese Oxides
11. First-principles Study For One-dimensional Semiconductor Nanostructures: Electronic Properties And Implication To Device Applications
12. First-Principles Study On The Structure And Properties Of M-N-H System Clusters
13. First Principles Study Of Electronic Properties Of Nanostructure Diamond And Related Materials
14. First-Principles Study Of Defect Physics For ZnO And Phase-Change Mechanism For GeSbTe
15. First-Principles Study Of The Interactions Between Small Molecules/Atoms And Magnesium Surfaces
16. The First Principles Study On Several New Carbon-Based Nano Functional-Materials
17. First-principles Study Of The Structural, Elastic And Electronic Properties Of Several Transition Metal Borides, Nitrides, And BC5
18. First Principles Study On Cobalt Cluster, Gold Cluster And Silicon Nanowire
19. Insight Into The Important Electrochemical Reactions From First-Principles Study
20. First-Principles Study Of Chemisorption And Difffusion Of Small Molecules On Carbon Nanotubes
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