Keyword [Density functional theory]
Result: 21 - 40 | Page: 2 of 10 |
| 21. | Experimental And Mechanism Study On The Mercury, Arsenic And Selenium Transformation And Emission Control During Coal Combustion |
| 22. | The Density Functional Study On Properties Of Linquist-, Stranberg- And Keggin-Polyoxometalate Derivatives |
| 23. | A Study On Structures, Bonding Energies And Aromaticity For Mono-and Bi-Nuclear Sandwich Complexes Within Density Functional Theory |
| 24. | The Study On 1-Methylcyclopropene And Its Inclusion Complex |
| 25. | Orientation Construction And Electronic Structure Of M/I(M=Ag, Cu, Pb) Coordination Polymers Directed By Cations |
| 26. | Theoretical Studies On The Structures And Properties Of High-nitrogen Heterocycle Compounds: Triazole And Tetrazine Derivatives |
| 27. | Novel Catalysts For Propane Selective Oxidation: Preparation, Characterization, Catalytic Reaction And Related Sduties |
| 28. | Investigation On The Structure And The Interaction Of Ionic Liquids |
| 29. | Steric Effects Promoted Intermolecular C—H…O Hydrogen Bonds In Solution |
| 30. | Theoretical Study Of The Mechanical Properties And Electronic Transport Behavior Of The Small Contact |
| 31. | Theoretical Study On The Organocatalysis Of Bifunctional-amine Catalyst |
| 32. | First-principles Density-functional Study Of The Field Emission Properties Of Carbon Nanotubes |
| 33. | New Generation Relativistic Quantum Chemical Methods And Application |
| 34. | Theoretical Study On The Photoinduced Intramolecular Electron Transfer In Solvents For Some Typical Systems |
| 35. | Theoretical Study On The H-bonded Dimmers For Some Biological Systems |
| 36. | Theoretical Study On The Bicapped And Vanadium-substituted α-Keggin-type Heteropoly Anions ([XM12O40(YO)2]～(m-) And [PVnMo12-nO40]～((3+n)-))/(X=P, As; M=Mo, V; Y=V, A |
| 37. | Density Functional Theory Study On The Ag(2,2'-bipy)-POMs Hybrids System |
| 38. | Theoretical Study Of The Organic Nonlinear Optical Materials Using The TDDFT-SOS Method |
| 39. | Theoretical Studies On The Kinetics Of Thermal Degradation Of Hydroxylalkylpolysiloxanes |
| 40. | Theoretical Investigations On The Intermolecular Interactions Among Some Compounds |
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