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Ground- and excited-state properties of M-center oxygen vacancy aggregates in the bulk and the surface of MgO
Domínguez Ariza, David; Sousa Romero, Carmen; Illas i Riera, Francesc; Ricci, Davide; Pacchioni, Gianfranco
Universitat de Barcelona
2010-05-04
Defectes cristal·lins
Química de superfícies
Química computacional
Teoria del funcional de densitat
Crystals defects
Surface chemistry
Computational chemistry
Density functional theory
(c) The American Physical Society, 2003
Article
The American Physical Society
         

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