Nature of the chemical bond between metal atoms and oxide surfaces: new evidence from spin density studies of K atoms on alkaline earth oxides

Authors :: Chiesa, Mario
Giamello, Elio
Di Valentin, C.
Pacchioni, G.
Sojka, Z.
Van Doorslaer, S.
Publication Year :: 2005

Subjects :: HYPERFINE COUPLING-CONSTANTS
EFFECTIVE CORE POTENTIALS
MAGNESIUM-OXIDE
MOLECULAR CALCULATIONS
DEFECT CENTERS
COLOR-CENTERS
GROUND-STATES
MGO SURFACE
BASIS SET
RESONANCE

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