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Keyword [DensityFunctional Theory]
Result: 1 - 20 | Page: 1 of 3
1. Theoertical Studies On The Adsorption And Catalysis Of Pd_n Clusters And Their Suppotred Catalyst
2. Theoretical Study Of Several Organic Asymmetric Catalytic Reactions
3. Theoretical Investigations On The Hydrolysis-Oligomerization Mechanisms Of Silicon And Aluminum Alkoxides
4. The Study For Mechanisms Of Demercuration On Iron Oxide Surface In Flue Gases
5. The Structure And Stability Study On The Endohedral Metallofullerene(EMF)
6. Theoretical Studies On The Reaction Mechanism Of Superoxide Radical And Singlet Oxygen Oxidative Damage To2’-deoxyguanosine
7. Theoretical Study On The Structure And Catalytic Properties Of Gold Nanoclusters
8. Theoretical Study On Trifluoroacetic Acid Adsorbed On Nonmetal And Metal Doped Anatase Surface With Density Functional
9. Experment Study And Quantum Chemistry Simulation On The Absorption Of CO2in Ionic Liquid
10. Theoretical Investigation Of Methanthiol Hydrodesulfurization Mechanism
11. Density Functional Theory Study Of Surface Reactions On InN
12. The Experimental And Theoretical Studies On Excited-State Intramolecular And Intermolecular Proton Transfer
13. Theoretical Studies On The Properties Of Aromatic Amine And Hindered Phenolic Antioxidants
14. The Effect Of Structure Modulation About Rh-based Catalysts On Catalytic Reaction Of Ethanol Synthesis From Syngas
15. Theoretical Study Of Removal Of γA12O3for Hydrogen Sulfide And Mercury
16. The Study On The Removal Mechanisms Of H2S And Hg0in Coal Gas Over Ce-based Oxide
17. Bonding Rule And Structural Analysis For Binuclear Tungsten Carbonyl Nitrosyls
18. The Simulation And Research Of Synergistic Reaction In Near-Critical Water
19. Theoretical Studies On Several Unimolecular Reactions And Stability Of Molecular Cluster
20. Global Optimization Of Cluster Geometries Based On The Topological Algorithm
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