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Keyword [Density function theory]
Result: 41 - 57 | Page: 3 of 3
41. With Quantum Theory Study Of Coal Ash Microstructure Features
42. The Study Of Rectifying Regularity Based On The ZMP Molecular Device With First-principles
43. Mechanisms Of Covalent Dimerization On A Bulk Insulating Surface
44. Studying The Effect Of Doping On Magnetic Properties Of 2D Materials Based On Density Fuctional Theory
45. Study On The Excited-state Dynamics Behavior And Photophysical Properties Of Some Special Kinds Of Intramolecular Proton Transfer
46. First-principles Study On The Electronic Structure Of Boron/Nitrogen Decorated Piont Defects In Graphene
47. First-principle Calculation Of Inter-mineral Equilibrium K,Ca And N Isotope Fractionation
48. Theoretical Study On The Excited-state Intramolecular Proton Transfer
49. Theoretical Study On Two-dimensional Second-order Nonlinear Optical Property Of Electron-push-pull Nano-molecule
50. Structure,Magnetic Properties And Half-metal Properties Of Heusler Alloys Ni2-xScxMnSn And CrMnZ
51. First-principles Study On The Electromagnetic Characteristics Of MoX2/BN(X=S,Se) Heterostructure
52. Theoretical Study On The Electronic Structure,magnetic And Optical Properties Of Triangular Graphyne Quantum Dots
53. The DFT Studies On Second-order Nonlinear Optical Properties Of BODIPY Derivatives
54. The Role of Surface Oxides in NOx Storage Reduction Catalysts: A Density Function Theory and kinetic Monte Carlo Study
55. Study On Thermoelectric Properties Of New Antimonides Based On First-principles
56. Experimental And Theoretical Research On Ultrafast Dynamics Of NO2
57. First-principles Study Of The Electronic Structure And Magnetism Of Vacancies In The 1T' Phase Of Two-dimensional Janus Materials
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