Physical and chemical characterization of Pt12-n Cun clusters via ab initio calculations

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

  Mejía López, Joś ^a   García, Griselda ^a   Romero, Aldo H ^b  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b CINVESTAV Unidad Que taro   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ATOMIC FRACTIONS; CHARGE DELOCALIZATION; CHARGE DEPENDENCE; CHEMICAL CHARACTERIZATION; COPPER ATOMS; CU ATOMS; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTROPHILICITY; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MAGNETIC DEPENDENCE; MAGNETIC NANOSTRUCTURES; NUMBER OF ELECTRONS; OSCILLATORY BEHAVIORS; SPINTRONICS;

ATOMS; CHEMICAL PROPERTIES; DENSITY FUNCTIONAL THEORY; MAGNETIC PROPERTIES; MOLECULAR MODELING; MOLECULAR ORBITALS; PLATINUM;

IONIZATION POTENTIAL;

EID: 68249125828     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3187031     Document Type: Article

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