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Journal of Chemical Physics

Volumn 115, Issue 17, 2001, Pages 8172-8177

The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100)

(6) Markovits, A a Skalli, M K a Minot, C a Pacchioni, G b Lopez N c Illas, F c

a LABORATOIRE DE CHIMIE THÉORIQUE (France)

b Istituto Nazionale per la Fisica della Materia Milan (Italy)

c UNIVERSITY OF BARCELONA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL BONDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; MAGNESIA; MAGNETIC MOMENTS; MAGNETISM; MOLECULAR ORIENTATION; NICKEL; PROBABILITY DENSITY FUNCTION;

ATOMIC ADSORPTION; CHEMICAL BONDING; DENSITY FUNCTIONAL THEORY; HARTREE - FOCK ATOMIC CALCULATIONS; MOLECULAR QUANTUM DENSITY;

ADSORPTION;

EID: 0035505151 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1407824 Document Type: Article

Times cited : (50)

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