Study on electronic density topology of various cluster models of Mg/Al hydrotalcite by density functional theory

Journal of Natural Gas Chemistry

Volumn 19, Issue 2, 2010, Pages 179-184

  Lü, Renqing ^a   Zhang, Nina ^a  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

Cluster model; Density functional theory; Hydrotalcite; Mg Al

Indexed keywords

ALUMINUM ATOMS; ANIONIC CLAY; BOND ORDERS; CLUSTER MODELS; ELECTRONIC DENSITY; ELECTRONIC TOPOLOGIES; HYDROTALCITES; OCTAHEDRAL CATION;

ELECTRONIC PROPERTIES; GEOLOGIC MODELS; TOPOLOGY;

DENSITY FUNCTIONAL THEORY;

EID: 77955402126     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(09)60056-6     Document Type: Article

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