The treatment of the spin coupling in the bonding of NO to the Ni-doped MgO (100) surface

Molecular Physics

Volumn 101, Issue 1-2, 2003, Pages 241-247

  Dominguez Ariza, D ^a   Illas, F ^a   Bredow, T ^b   Di Valentin, C ^c   Pacchioni, G ^c  

^a UNIVERSITY OF BARCELONA   (Spain)

^b LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^c Istituto Nazionale per la Fisica della Materia Milan   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); BONDING; CHEMICAL BONDS; ELECTROMAGNETIC WAVE POLARIZATION; ELECTRON ENERGY LEVELS; NITROGEN OXIDES; PROBABILITY DENSITY FUNCTION; SOLID STATE PHYSICS;

CORRELATED WAVEFUNCTION CALCULATION; DENSITY FUNCTIONAL THEORY; EXCHANGE-CORRELATION FUNCTIONALS; SPIN COUPLING; SPIN DISTRIBUTION; SPIN POLARIZATION;

MAGNESIA;

EID: 1542346812     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897021000026863     Document Type: Article

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