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Keyword [Reactive Force Field]
Result: 1 - 20 | Page: 1 of 2
1. Force Field Methods And Representative Applications In Material Science
2. Development Of ReaxFF Reactive Force Field And Several Applications In Materials Science
3. Simulation On The Decomposition For Condensation Of Dihydroxyl Methyl Urea Using The Reaxff Reactive Force Field
4. Multi-scale Computing On The Response Characteristics Of Energetic Materials At Extreme Conditions
5. Theoretical Investigation Of [2]Rotaxanes By Using Quantum Chemistry Calculations And Molecular Dynamics Simulations
6. Coal Pvrolvsis Simulation By GPU-based Reactive Force Field Molecular Dynamics (ReaxFF MD)
7. Development And Application Of The Parallel Tempering Method
8. Interfacial Properties And Mechanical Enhancement Between Functionalized Graphene And Polymer
9. Molecular Diffusion In Two-dimension Confined Nano-slits By Molecular Dynamics Simulation
10. Reaction Mechanism Study On The Refractory Organic Wastewater Treatment Via Supercritical Water Technology
11. Study On The Pyrolysis And Oxy-fuel Combustion Of Zhundong Coal Using Reactive Molecular Dynamics Simulations
12. Molecular Modelling And Microwave Pyrolysis Studies Of ZaoQuan Coal
13. Research On The Physico-Chemical Behaviors In The Nano-field Of Quartz Glass In Ultra-precision Machining Process
14. Reactive Molecular Dynamics Study On The Influence Of CO2 And H2O On The Combustion Of Zhundong Coal Char
15. Application Of Molecular Dynamics In The Study Of Physical And Chemical Properties Of Carbon Materials
16. Development of a ReaxFF reactive force field for titanium dioxide/water systems and its applications to etching, nanoparticles with organic solvents and ion adsorptions on nanocrystalline surfaces
17. Improved generation of large-scale atomistic representations and pyrolysis/combustion simulations of Illinois coal and coal char using the ReaxFF reactive force field
18. Development and application of a ReaxFF reactive force field for hydrocarbon cracking on an aluminiosilicate zeolite catalyst
19. Development of a reaxff reactive force field for silicon/oxygen/hydrogen/fluoride interactions and applications to hydroxylation and friction
20. The DFT And ReaxFF Reactive Force Field Study On Higher Alcohols Synthesis From Syngas Over Cu/Co Bimetallic Catalysts
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