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Volumn 281, Issue 2-3, 2001, Pages 176-186
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Adsorptivity of atomic H and coadsorptivity of Mg and O ions on regular and irregular surfaces of MgO: DFT calculations
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Author keywords
[No Author keywords available]
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Indexed keywords
ATOMS;
DENSITY FUNCTIONAL THEORY;
IONS;
MAGNESIA;
ADSORPTION ENERGIES;
COORDINATION NUMBER;
DFT CALCULATION;
ELECTROSTATIC POTENTIALS;
IRREGULAR SURFACE;
MADELUNG POTENTIAL;
QUANTUM CLUSTERS;
SURFACE DISLOCATION;
MAGNESIUM;
HYDROGEN;
MAGNESIUM;
MAGNESIUM OXIDE;
OXYGEN;
ADSORPTION;
ARTICLE;
CALCULATION;
ELECTRIC POTENTIAL;
ENERGY;
MOLECULAR INTERACTION;
QUANTUM THEORY;
THEORY;
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EID: 0035911756
PISSN: 03759601
EISSN: None
Source Type: Journal
DOI: 10.1016/S0375-9601(01)00107-4 Document Type: Article |
Times cited : (35)
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References (41)
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