Adsorption energies of molecular oxygen on Au clusters

Journal of Chemical Physics

Volumn 120, Issue 20, 2004, Pages 9594-9600

  Ding, Xunlei ^a   Li, Zhenyu ^a   Yang, Jinlong ^a   Hou, J G ^a   Zhu, Qingshi ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; CATALYSIS; CHEMICAL BONDS; COMPUTATIONAL METHODS; DIFFUSION; FREQUENCIES; GOLD; MOLECULAR DYNAMICS; NEGATIVE IONS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

ADSORPTION ENERGY; DENSITY FUNCTIONAL THEORY (DFT); GENERALIZED GRADIENT APPROXIMATION (GGA); MOLECULAR OXYGEN;

OXYGEN;

EID: 2942618698     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1665323     Document Type: Article

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