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Keyword [Density functional theory calculation]
Result: 1 - 20 | Page: 1 of 3
1. Density Functional Theory Calculation On Principle Vitamin Eliminating Free Radicals
2. Improving The Accuracy Of Density Functional Theory Calculation For Homolysis Bond Dissociation Energies Of Y-NO Bond: Neural Network And Support Vector Machine Methods
3. Density Functional Theory Calculation And Experimental Research On Manganese Oxides As ORR Electrocatalyst
4. Research On The Direct Hydroxylation Of Aromatic Compounds Catalyzed By The Iron-containing Catalysts
5. The Excited State Dynamic Study Of Hetero-cyclic Aromatic Ketone By Resonance Raman Spectra And Density Functional Theory Calculation
6. Dft Studies Of Adsorption Behivior Of Persistent Organic Pollutants （POPs） PFOS/PFOA On Anatase TiO2Surfaces
7. Study On Reaction And Mass Transfer In Polycarbonate Synthesis Process Catalyzed By Quaternary Ammonium Hydroxides
8. Synthesis, Electrochemical Properties And Catalytic Hydroxylation Application Of [Fe-Fe]-Hydrogenase Model Complexes
9. Research On Alloy Nanometer Catalysts By Density Functional Theory Calculation
10. Support Effect For MOx(M= Ru, Ir, Sn, Pd) Supported On TiO2 Catalysts: A Quantum Chemical Study
11. Theoretical Calculation Studies On The Electrocatalysis Reaction Of Oxygen And Hydrogen And Lithium Iron Phosphate Electrode
12. The Research Of Oxygen Vacancies Diffusing Mechanisms In Aliovalent Elements Doped Zirconia
13. Investigation Of Graphene Oxide Coagulation Behaviour And Interaction Mechanism In Water Environment
14. Theoretical Study Of Ethylene Epoxidation And The Optimal Design Of Ag-based Catalvsts
15. Theoretical Design Of Transition Metal Catalyst Based On First Principle Methods
16. Study On Electrocatalytic Behavior Of Two-dimensional Materials Based On Surface Modification
17. Support Effect On Ni/MgO And PdO/MO2(M=Sn,Ti,Si)Supported Catalysts
18. Theoretical Study On Several FCC Configuration Structural Evolution Of Gold And Silver Clusters Protected
19. Theoretical Studies On The Function Of Heavy Metals In Complex Catalyst And Doped Phosphorene Semiconductor Material
20. The Density Functional Theory Study On The Modulation Of Amino Acid Ligand To The Au Core Structure And Characteristics
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