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Keyword [Ab initio molecular dynamics]
Result: 41 - 60 | Page: 3 of 6
41. Mechanism Study Of Magnesium Vapor Condensation Under CO Atmosphere
42. Study On The Mechanism Of A1N Vacuum Thermal Decomposition Reaction
43. Study On The Volatilization Law Of Silver In Vacuum Distillation Copper-silver Alloy
44. Temperature And Pressure Induced Atomic Structural Evolution And Phase Transition In Disordered Metals
45. Theoretical Studies On Decomposition And Combustion Mechanisms,molecular Design,and Environmental Responses Of Energetic Compounds
46. Liquid Structural Evolution On Medium-range Scale And The Correlation Between Structure And Magnetic Properties In Fe-based Alloys By First Principles Simulations
47. Investigation Of Mechanism Of Metal Magnetic Memory Using Particle Spinning Model
48. Computational Design And Characterization Of New Types Of Si-based Photoelectric Nanomaterials And Osmacycle Dyes
49. First Principles Calculation And Ab Initio Molecular Dynamics Inestigation Of The Structures And Properties Of Cu,W Doped GeTe Phase Change Materials
50. Theoretical Study On The Structures,Properties And Stability Of Perovskite Materials And Origin Of Photocatalytic Efficiency Of BiVO4 Heterostructures
51. Dynamics Performance And Electronic Structure Of Superatom Perovskites:First-principles Study
52. Theoretical Studies On Reaction Dynamics Of Methane And Carbon Dioxide And Other Small Molecules On Transition Metal Surfaces
53. Thickness Dependent Structural Evolution In Mg-Zn-Ca Thin Film Metallic Glasses
54. Structural Evolution In Sn-Zn Metallic Liquids
55. Study On The Correlation Between Mechanical Properties And Structure Of Fe Based Amorphous Alloys Through Ab Initio Molecular Dynamics Simulations
56. Revealing Novel Mechanism Of S_N2 Reaction Using Ab Initio Molecular Dynamics
57. Theoretical Studies On Dynamics Of CH3OH Dissociation And H/D Eley-Rideal Reactions On The Cu(111) Surface
58. Effect Of Replacement Of Similar Metal Elements On Mechanical Properties Of Transition Metal-based Amorphous Alloys
59. Ab Initio Molecular Dynamics Study On The Origin Of Ferroelectricity Of Hafnium-Based Thin Films
60. Theoretical Study On The Structures And Properties Of Au-Pd@UiO-66-NH2
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