Theoretical study of the hexahydrated metal cations for the understanding of their template effects in the construction of layered double hydroxides

Journal of Molecular Structure: THEOCHEM

Volumn 866, Issue 1-3, 2008, Pages 34-45

  Yan, Hong ^a   Lu, Jun ^a   Wei, Min ^a   Ma, Jing ^b   Li, Hui ^b   He, Jing ^a   Evans, David G ^a   Duan, Xue ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Density functional calculation; Hexahydrated metal ions; Layered double hydroxides; Natural bond orbital; Structural direction; Template effect

Indexed keywords

EID: 51249110349     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.06.031     Document Type: Article

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