DFT study of the structure sensitivity for the adsorption of methyl, methoxy, and formate on Ni(1 1 1), Ni(1 0 0), and Ni(1 1 0) surfaces

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

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The work function of the elements and its periodicity

Herbert B. Michaelson · Journal of Applied Physics · 1977 · 4.2K citations

Computing, Physics, Elemental Analysis +8

Self-Consistent Model of Hydrogen Chemisorption

D. M. Newns · Physical Review · 1969 · 1.6K citations

Natural Sciences, Chemistry, Physics +17