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Keyword [First-Principles]
Result: 41 - 60 | Page: 3 of 10
41. First-principles Calculations Of The Thermodynamic Properties Of Rare Earths-aluminum And Rare Earths-magnesium Alloys
42. First-Principles Research On Physical Properties Of Sn-Based Intermetallics And Bond-Order Potential Of Sn
43. First-principles Studies And Designs Of Nano Materials And Devices Based On Carbon
44. Study On The Grain Refinement Of Si Phase And The Interfacial Characteristics In Si-high Al Alloys
45. Studies On Gas Sensing Properties Of Mg-Doping Ln (Fe,Co)O3 Materials And Electronic Structure Of LaFeO3 Based On First-Principles
46. Theoretical Research On The Properties Of Several Classical Molecular Electronic Materials
47. Raman Spectra Of Vanadium Pentoxide From First-Principles Calculation
48. First Principles Study Of Electronic Properties Of Nanostructure Diamond And Related Materials
49. Quasi-One-Dimensional Nanotubes: Geometry And Electronic Structure Tuning From First-Principles Calculation
50. First-Principles Study Of Defect Physics For ZnO And Phase-Change Mechanism For GeSbTe
51. First-principles Investigation On The Properties Of Nanocone And Graphene
52. Theoretical Study Of Electron Transfer For Organic Systems By First-principles And Quantum Dynamics
53. First Principles Studies On Nano-and Surface Systems
54. The Preparation, Modification And Photocatalytic Water Splitting Properties Of ZrW2O8
55. First-Principles Study Of The Interactions Between Small Molecules/Atoms And Magnesium Surfaces
56. The First Principles Study On Several New Carbon-Based Nano Functional-Materials
57. First-principles Study Of The Structural, Elastic And Electronic Properties Of Several Transition Metal Borides, Nitrides, And BC5
58. First Principles Study On Cobalt Cluster, Gold Cluster And Silicon Nanowire
59. Alloying And Compositing Of Mg2(Si, Sn) Based Thermoelectric Materials
60. Molecular Simulation Study Of Acetylene Selective Hydrogenation
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