Density functional study of O2 adsorption on (100) surface of γ-uranium

International Journal of Quantum Chemistry

Volumn 102, Issue 1, 2005, Pages 98-105

  Huda, M N ^a   Ray, A K ^a  

^a UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

Author keywords

Adsorption; Density functional theory; Oxygen; Uranium

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; CHARGE TRANSFER; CHEMISORPTION; DIFFUSION; DISSOCIATION; PROBABILITY DENSITY FUNCTION; URANIUM;

CHEMISORPTION ENERGY; GENERALIZED GRADIENT APPROXIMATIONS; MOLECULAR OXYGEN; PARAMAGNETIC ADSORPTION;

OXYGEN;

EID: 14544294804     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20365     Document Type: Article

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