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Keyword [first-principles modeling]
Result: 1 - 10 | Page: 1 of 1
1.
First-principles Modeling And Application Of Electrochemical Corrosion Of Metals And Alloys
2.
Leveraging First-Principles Modeling for Deeper Insights into Biomass Processin
3.
First principles modeling of the structure and reactivity of water at the metal/water interface
4.
First principles modeling of insulating solids: Response properties, ferroelectric superlattices and their interfaces
5.
First-principles Modeling of the Surface Reactivity of Transition Metals with Perturbed Electronic Properties
6.
First principles modeling of non-equilibrium gas phase environments for aluminum nitride and diamond growth from the vapor
7.
First-principles modeling of structural and electronic properties in ferroelectric compounds
8.
First-principles modeling of catalysts: novel algorithms and reaction mechanisms
9.
First-principles modeling of functional perovskite materials and superlattices
10.
Theoretical Study On Acidic Oxygen Reduction Reaction Mechanisms Catalyzed By Transition Metal-Nitrogen-Carbon
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