Search

Search Constraints

Start Over You searched for: Keyword DFT Remove constraint Keyword: DFT

Search Results

2. Mechanistic Analysis of the Selective Hydrogenation of Acetylene Over NiZn Surface

open_access
Open Access

5. A first-principles study of graphene and its derivatives as supercapacitor electrodes

open_access
Open Access

6. Trends in single transition metal atom/oxide support interactions from density functional theory

open_access
Open Access

8. An Exploration of Nitrogen Adsorption and Subsequent Reduction on Nickel-Hydroxide Catalysts Using Density Functional Theory

open_access
Open Access

10. Investigating the Surface Chemistry of Hydrogenation Reactions on Supported Metal Catalysts

open_access
Open Access