Ab initio studies on the reaction of O2 with Ban (n=2,5) clusters

Journal of Chemical Physics

Volumn 124, Issue 22, 2006, Pages

  Li, S F ^a,b   Xue, Xinlian ^a   Chen, G ^b   Yuan, D W ^b   Jia, Yu ^a   Gong, X G ^b,c  

^a ZHENGZHOU UNIVERSITY   (China)

^b INSTITUTE OF SOLID STATE PHYSICS   (China)

^c FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMISORPTION; DISSOCIATION; ELECTRONIC STRUCTURE; MAGNETIC MOMENTS; OXYGEN; REACTION KINETICS;

AB INITIO THEORETICAL CALCULATIONS; BAN CLUSTERS; ELECTRONIC STRUCTURE ANALYSIS; ORBITAL HYBRIDIZATION;

BARIUM COMPOUNDS;

EID: 33745162549     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2205851     Document Type: Article

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