Ab initio study of small AunY2 (n=1-4) clusters

Physica B: Condensed Matter

Volumn 403, Issue 21-22, 2008, Pages 4033-4037

  Jian Jun, Guo ^a   Ji Xian, Yang ^a   Dong, Die ^a  

^a XIHUA UNIVERSITY   (China)

Author keywords

Au Y clusters; Bimetallic clusters; First principle method; Geometrical configuration

Indexed keywords

CATALYST SELECTIVITY; GOLD; ISOMERS; YTTRIUM; YTTRIUM ALLOYS;

AB INITIO STUDIES; AU-Y CLUSTERS; BASIS SETS; BIMETALLIC CLUSTERS; CLUSTER STABILITIES; ELECTRONIC CONFIGURATIONS; ENHANCED CATALYTIC ACTIVITIES; FIRST-PRINCIPLE METHOD; FUNCTIONAL METHODS; GEOMETRICAL CONFIGURATION; GOLD CATALYSTS; GOLD CLUSTERS; GROWTH PATTERNS; RELATIVISTIC EFFECTIVE CORE POTENTIALS; SPIN MULTIPLICITIES; STRUCTURES GROW;

GOLD COMPOUNDS;

EID: 55549145081     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2008.08.002     Document Type: Article

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