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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