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Keyword [Ab initio study]
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1. Ab Initio Study On The Microscopic Mechanism Of Ozone Depletion In Atmosphere And The Reaction In Combustion
2. Photodissociation Dynamics Study Of Butadiene Molecular And Ab Initio Study Of Hydrogen-bond Cluster
3. Ab Initio Study Of Nitrogen Doping Carbon Nanotubes
4. Ab Initio Study Of Boron-doped Carbon Nanotubes
5. Ab Initio Study On Conjugating-Electron Compounds And The Oxalamide-bridged Coplexs
6. Ab Initio Study On The Mechanism Of Some Materials Reaction With O(~1D) And O(~3P)
7. Ⅰ.Catalytic Combustion Of Methane On Mixed Oxides-Containing MgO Catalysts Ⅱ.Ab Initio Study On The Reaction Mechanism Of Methane Combustion
8. Ab Initio Study Of Crystal Structure And Electronic Structure For N-Diamond
9. An Ab Initio Study On The COCl2…NH3, COCl2…H2S And COCl2…PH3 Complexes
10. Ab Initio Study Of The Organic Nonlinear Optical Material
11. The Structure And Formation Mechanism Of Nanodiamond Composite Films: Ab Initio Study
12. Multireference Ab Initio Study On The Low-lying Excited States Of Isoselenocyanic Acid, HNCSe
13. Ab Initio Study On The Photocatalyst Of SrTiO3with Doping
14. The Electronic Properties Of Low Dimensional Materials And The Transport Properties Of Their Nano-electronic Devices:an Ab Initio Study
15. Ab Initio Study Of Stability And Migration Of Point Defects In Metal-graphene Layered Composite
16. Ab Initio Study On The Structural And Thermodynamic Properties Of Fe-based Magnetic Compounds And Alloys
17. Structure And Properties Of La-doped LiF-SEI On The Surface Of Lithium Metal Anode:Ab Initio Study
18. Model ab initio study of excess charge carrier solvation on conjugated carbon chains
19. An ab initio study of the elastic properties of important group IV diborides at high temperatures
20. Pressure-induced phase transition in zinc sulfide: An ab initio study
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