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Keyword [ab initio calculation]
Result: 21 - 40 | Page: 2 of 3
21. A Quantum Mechanics Investigation On The Structure And Performance Of Dopped Spinel Maganese Oxide
22. Study Of The Surface State And Energy Contain Property Of Porous Silicon
23. Theoretical Study Of SrTiO3 Ferroelectric Thin Films Initial Homoepitaxial Growth
24. Basing On Ab Initio Calculation Results To Improve The Potential Calculation Of Ti-Si-N
25. Unsaturated Alkene Configuration Isomerization And Addition Reaction Theory Research
26. Formamide And Its Derivatives On Hydrogen Bonding Clusters Ab Initio Calculations
27. Types Of Benzo-heterocyclic Compounds, Second-order Nlo And Fluorescence Properties Of The Study
28. Preparation Of Cellulose Derivatives, Chromatographic Separation Of Applications And Mechanistic Studies
29. Study On Magnetic Properties Of Manganese Series Heusler Alloy
30. Theoretical Research Of SrTiO3 Ferroelectric Thin Films Initial Growth And Adsorption On Gan(0001) Surface
31. Accurate Ab Initio Calculations Of Intermolecular Potential Energy Surfaces And The Applications
32. Study On The Anodic Behavior Of Mg And Mg Alloy In AlCl3- EMIC Ionic Liquid And Its Mechanism
33. The Development And Application Of Fragment Quantum Chemical Approach For Computation And Dynamic Simulation Of Biomolecules
34. First-Principles Caculations On Magnetism Of Nanostructured Materials
35. Theoretical Study On Several Asymmetry Addition Reactions Catalyzed By The Cinchona Alkaloid Catalyst
36. The Calculation Of Fine Structure Of Electron Energy Loss Spectra Of BC 2 N Materials
37. Potential Energy Surface And Reaction Dynamics Studies For Systems Containing A Metal Atom
38. Structural Dynamics Of Polypeptide In Solution Phase
39. Ab Initio Study Of Stability And Migration Of Point Defects In Metal-graphene Layered Composite
40. Theoretical Study On The Interaction Between Halide Ion And Water
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