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Keyword [ab initio molecular dynamics]
Result: 1 - 20 | Page: 1 of 5
1. The Mechanisms Of The Thermal Decompositions Of Tetrazole Derivatives:Molecular Modeling Studies
2. Investigations On Local Structure Of Molten Alloys By Experimental And Ab Initio Methods
3. Structure And Properties Of Liquid And Amorphous Binary Alloys Simulated By Ab Initio Molecular Dynamics
4. Studies On The Dynamic Properties Of Excess Electron In Homogeneous System By Ab Initio Molecular Dynamics Simulations
5. Structural And Dynamical Properties Of Hydrogen Sulfide And Ammonia Borane Under High Pressure: An Ab Initio Molecular Dynamics Study
6. Molecular Dynamics Simulation And Vacuum Distillation Of Pb - Sb Alloy
7. Disproportionation Reaction Of Chloride. Alumina Vacuum Carbothermal Reduction Theory
8. AB Initio Molecular Dynamics Study Of The Hydrogen Bonding In Liquid Water
9. Study On Local Structure Of Liquid And Amorphous FeB-based Binay And Tinary Alloys By First-principle Methods
10. Study Of The Liquid Structure In Ti-Ni-Cu Alloy System
11. Atoms-in-Molecules Molecular-dynamics Study Of Ion-water Bonding Of K~+ Solvation In Water
12. Study On The Mechanism Of Carbothermal Products And AlN Chlorination Of Al 2 3
13. Research On The Local Atomic Structure Of Amorphous Alloys Using The Ab-initio Molecular Dynamics Simulation
14. Design And Synthesis Of CO2-philic Poly（Vinyl Acetate） Based Copolymers
15. Tetrazine Theoretical Study On The Thermal Decomposition Of Nitrogen Compound
16. Fox-7 Thermal Decomposition Mechanism And Crystal Properties Of Theoretical Research
17. Hoo ~, (sub) Sulfuric Acid Molecule Coupling Mechanism And Its Radicals Complex Capture Of The Electron Theory
18. Of Cucr Aging Precipitation First-principles Calculation And Molecular Dynamics Simulation,
19. Mg-al Alloy Of Early Aging Process Analysis And First-principle Molecular Dynamics Study
20. First-principle Studies Of Structures And Physical Properties Of Binary Amorphous Alloys
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