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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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