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Keyword [DFT calculations]
Result: 21 - 40 | Page: 2 of 6
21. Theoretical Studies On Transition Metal Catalyzed C-H Activation In Several Important Organic Reactions
22. First-principles Calculations On Magnetic Anisotropy Energy Of Ni2FeGa And Metamagnetic Transition Of Nicomnz(Z=In,Sn,Sb) Alloys
23. DFT Studies Of The Selective C-O Hydrogenolysis And Ring-opening Of Biomass-derived
24. DFT Study Of Water Molecule Adsorption On The KH2PO4(100)and(101)Surfaces
25. Constructing Of Highly Dispersed Pd(200) Dominant Surface On Cu Nanoparticles From Chemical Sculpturing Strategy For Hydrogenations Of Nitrobenzene Compounds
26. Investigation Of The Selected Benzophenone Compounds Using Time-Resolved Resonance Raman Spectroscopy And DFT Calculations
27. DFT Calculations Of Structures,Solvent Effects And Opto-electrical Properties On Rubrene And Its Derivatives
28. Synthesis,spectra,and Theoretical Investigations Of 1,3,5-triazines Compounds As Ultraviolet Rays Absorber Based On Time-dependent Density Functional Calculations And 3D-QSPR
29. The Study Of Fluorescence Dyes Based On Coumarin Derivatives: Synthesis And Optical Properties Study
30. Study On The Raman Non-coincidence Effect And Aggregation Structure Of C=O Stretching Mode
31. Synthesis,Microstructure And Properties Of Zirconium/Hafnium/Scandium Containing Two Dimensional Transition Metal Carbides
32. Theoretical Studies On Several Important Organic Synthesis Reactrous Catalyzed By Transition Metals
33. Design High Activity Catalysts Through Electronic Structure Regulation And Their Catalytic Applications
34. Research On Cyclic CO2 Capture Performance Of Ca/Al Sorbents And Reaction Mechanism By Experiment And DFT Calculations
35. Metal Nitride,Metal Borides As Novel Sulfur Hosts For High-performance Lithium-sulfur Batteries
36. Ni,Co Based Nanostructure Materials For Energy Conversion And Storage Applications
37. Experimental And Theoretical Studies On Homogeneous/Heterogeneous Hafnium And Chromium-based Ethylene Polymerization Catalysts
38. Applications Of Biomass-Derived Carbon Materials In Wastewater Treatment And Electrochemistry
39. Research On Catalytic Conversion Of CO2 For The Production Of CH4
40. Design,Synthesis And Applications Of Twisted Fluorophores With Intramolecular Weak Hydrogen Bonds
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