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Keyword [Ab-initio molecular dynamics]
Result: 21 - 40 | Page: 2 of 5
21. Ab Initio Molecular Dynamics Study Of Nitromethane And Its Decomposition Product
22. Study Of The Metallic Boron-amine Hydrogen-storage Compounds And Their Intereaction With The Nitro High Energetic Compounds
23. Ab Initio Molecular Dynamics Simulations Of O- Reaction With CH4, Dissociative Ionization And Electron Attachment
24. The Local Structure Of Molten Ni-based Alloy: An Ab Initio Molecular Dynamics Study
25. Liquid-solid Interface Between Al Melts And Substrate During Heterogeneous Nucleation On Atomic Scale
26. Theoretical Study The Structural Characteristics Of Hydration Of Ca2+, Mg2+ And Magnesium Sulfate Saline Solutions
27. Studies On The Reactivity Of Hydrated Electron In Aqueous Solution By Ab Initio Molecular Dynamics Simulation
28. Simulational Studies Of Excess Electron Interactions With Amino Acid Aqueous Solutions
29. The Theory Compution And Simulation Research Of Microcosmic Growth Pattern Of SiC Nanowire In The Initial Stage And The Effection Of Ni Liquid Drop’s Size On It
30. Study On The Melt Properties Of Sn - Pb - Ag Alloy And The Effect Of Zn On The Distribution Of Ag In Alloys
31. Theoretical Study On Vacuum Thermal Decomposition Of Arsenic Iron Slag
32. Behavior Of Al 2 O During Carburizing Reduction Under High Temperature Vacuum
33. Structural Evolution And Thermodynamical Properties Of Metallic Liquids And Glasses Studied By Ab Initio Molecular Dynamics Simulations
34. First-principles Study On The Structural Correlation Between Liquid And Solid Phases In Mg-based Alloys
35. The Structural Characterization Of Solvated Electron And Its Associated Properties Revealed By Theoretical Studies
36. Electronic Structure Studies Of Conjugated Polymers
37. Ab Initio Molecular Dynamics Simulation On The Structure And Properties Of Ni-metalloid Amorphous Alloys
38. The Study Of The Structure And Property Of The Co-based Amorphous Alloys By First-principle Simulation
39. Atomic Structure Of Ternary Fe-Nb-B Liquid And Amorphous Alloys Analyzed By Ab-initio Molecular Dynamics
40. Theoretical Investigations On The Composite Of Au/Pd Cluster Encapsulated ZIFs
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