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Keyword [DFT study]
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1. DFT Study On The Electronic Structure For NiO Solid And Its Adsorption Reaction On Surface
2. DFT Study Of The Monooxygenation Reactions Of The Substrates Containing Nitrogen Or Sulfur Atom By Cytochrome P450
3. Dissociation Of Methylamine And Methane On Different Catalyst: A DFT Study
4. The Oxidation Of Ethylene And Vinyl Chloride On Different Metal Catalyst: A DFT Study
5. Palladium-Catalyzed Cycloarbonylation Ofallylicalcohols: Insights From A DFT Study
6. A DFT Study Of The Electronic Properties And Relative Stability On [HnP2Mo5O23]~((6-n)-) And α/β-Keggin [SiW9Al3(H2O)3O37]~(7-) Polyan
7. DFT Study On Mechanism Of Transition Metal-Catalyzed Asymmetric Reaction
8. A DFT Study On The Process Of Partial Oxidation Of Methane
9. A DFT Study On The Electronic Properties And Stability Of Organoimido-polyanion Hybrid Material
10. TD-DFT Study On The Electronic Spectrum Of Re(CN)7~(3-) And Re(CN)8~(3-)
11. DFT Study On Mechanism Of Several Transition Metal-Catalyzed Asymmetric Reaction
12. A DFT Study On The Influences Of Step Structure And Adsorbed Oxygen On Nickel Surface On Dissociation Process Of Methane
13. DFT Study On Mechanism Of Several Metal-Catalyzed Organic Reaction
14. DFT Study On Mechanism Of Several Transition Metal-Catalyzed Asymmetric Reaction
15. The DFT Study On Formation Mechanism Of Dioxins And The Direct Dynamic Calculation Of The Reaction Of HN3 With OH Radical
16. DFT Study Of The Single-wall Carbon Nanotube And Diamondlike Carbon Film
17. DFT Study On The Supermolecular Structure Of ZnFe/NiAl LDHs
18. The DFT Study On Second-order NLO Property Of The Schiff Base Ligand And Ⅷ Metal Complexes
19. DFT Study On The Structure And Non-linear Optical Property Of The Simple Closo-Carborane
20. DFT Study On The Mechanisms Of Several Asymmetric Cyclized Reactions Catalyzed By Transition Metal
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