Theoretical study of aluminum arsenide clusters: Equilibrium geometries and electronic structures of AlnAsn (n = 1-4)

Journal of Molecular Graphics and Modelling

Volumn 24, Issue 3, 2005, Pages 167-174

  Qu, Yuhui ^a   Ma, Wanyong ^a   Bian, Xiufang ^b   Tang, Hongwei ^b   Tian, Weixing ^b  

^a QILU UNIVERSITY OF TECHNOLOGY   (China)

^b SHANDONG UNIVERSITY   (China)

Author keywords

AlnAsn clusters (n = 1 4); Density functional theory

Indexed keywords

ARSENIC COMPOUNDS; DIMERS; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR VIBRATIONS; NATURAL FREQUENCIES; PROBABILITY DENSITY FUNCTION; SILICON COMPOUNDS;

ALNASN CLUSTERS (N=1-4); DENSITY FUNCTION THEORY; ELECTRONIC CONFIGURATIONS; EQUILIBRIUM GEOMETRY;

ALUMINUM COMPOUNDS;

ALUMINUM DERIVATIVE; ARSENIC DERIVATIVE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYBRIDIZATION; PRIORITY JOURNAL; THEORETICAL STUDY;

ALUMINUM COMPOUNDS; ARSENICALS; COMPUTER SIMULATION; DIMERIZATION; ELECTRONS; ISOMERISM; MODELS, THEORETICAL; MOLECULAR STRUCTURE;

EID: 27144458994     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.07.004     Document Type: Article

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