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Volumn 115, Issue 17, 2001, Pages 8157-8171

Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)

(6) Nasluzov, Vladimir A a Rivanenkov, Vladimir V a Gordienko, Alexey B a Neyman, Konstantin M b Birkenheuer, Uwe b Rösch, Notker b

a INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY (Russian Federation)

b TECHNICAL UNIVERSITY OF MUNICH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MAGNESIA; OXYGEN; PALLADIUM; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RELAXATION PROCESSES;

CHARGED DEFECTS; CLUSTER EMBEDDING; ELASTIC POLARIZABLE ENVIRONMENT; ELECTRON AFFINITY; OXYGEN VACANCIES;

ADSORPTION;

EID: 0035505796 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1407001 Document Type: Article

Times cited : (103)

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