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Keyword [Density functional theory calculations]
Result: 21 - 40 | Page: 2 of 4
21. Novel Fluorine Boron Complex Contain N^N Or N^O:Synthesis And The Fluorescence Properties
22. Adsorption Of Ions Onto Carbonaceous Materials:a Density Functional Theory Study
23. Establishment Of The Method For Measuring Resistance Under Dynamic Loading And The Phase Transitions Of Chalcogenide Under High Pressure
24. Theoretical Investigation On The Oxygen Reduction Reaction Mechanism Of Non-Noble Metal Doped Graphene
25. Density Functional Theory Calculations On The Surface Reaction Mechanism Of Nickel/Copper Sulfide
26. Study On Structure Regulation And Sodium Storage Performance Of Titanate Anode Materials
27. The Method Of Gas Sensing Research Based On Density Functional Theory Calculations And Its Application
28. Experimental And Theoretical Combined Study On Electrocatalytic Ammonia Synthesis Under Mild Conditions
29. Theoretical Study Of Metal-multilayered Two-dimentional MoS2 Heterojunctions
30. Theoretical Study On The Reaction Mechanism Of Small Molecule VOCs Catalytic Oxidation Over Cobalt-Based Catalysts
31. Density Functional Theory Study On The MoS2-based Active Phase Structures And Hydrodesulfurization Reaction Mechanisms
32. Pyridine-boryl Radicals Mediated Reductive Couping Reactions: Computational Design And Experimental Study
33. Design And Simulation Of Two-dimensional Single/diatomic Electrocatalysts Based On First Principles
34. Design And Computation Of Molecules Based On Boron Aromatic Rings
35. The Mechanism Study Of Rhodium-catalysed Functionalization Of Alkenes Initiated By C-H Activation
36. Uranium Based Endohedral Actinide Fullerenes:Studies On Molecular Structure And Actinide Chemical Bonds
37. Carbon Dioxide Reduction To Formic Acid,methane,and Methanol On Pd3M(M=Au,Fe) Alloy:A Theoretical Investigation
38. Band Structure Engineering For Graphynes Bychemical Doping:A Computational Study
39. Stepwise Activation Of Multi-Substituted Molecules For Synthesis Of Low-dimensional Organic Nanostructures On Metal Surface
40. Theoretical Study Of Nickel Phosphide-based Electrocatalysts For Alkaline Hydrogen Evolution Reaction
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