Simulation of ab initio results for palladium and rhodium clusters by tight-binding calculations

International Journal of Quantum Chemistry

Volumn 82, Issue 1, 2001, Pages 26-33

  Berthier, G ^a   Defranceschi, M ^b   Montagnani, R ^c   Salvetti, O ^c  

^a ECOLE NORMALE SUPÉRIEURE   (France)

^b DCC/DPE/SPCP ^*  (France)

^c UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; CATALYSIS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; GRAPH THEORY; IONIZATION OF SOLIDS; PALLADIUM; RHODIUM;

TIGHT-BINDING CALCULATIONS;

QUANTUM THEORY;

EID: 0035281941     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)82:1<26::AID-QUA1018>3.0.CO;2-O     Document Type: Article

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