A B3LYP and MP2 theoretical investigation into host-guest interaction between calix[4]arene and Li+ or Na+

Journal of Molecular Modeling

Volumn 16, Issue 3, 2010, Pages 589-598

  Cao, Duan Lin ^a,b   Ren, Fu De ^a   Feng, Ya Qing ^b   Liu, Sheng Nan ^a   Chen, Shu Sen ^c  

^a NORTH UNIVERSITY OF CHINA   (China)

^b TIANJIN UNIVERSITY   (China)

^c BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Calix 4 arene; Cation interaction; Host guest complex

Indexed keywords

CALIXARENE; CATION; LITHIUM ION; SODIUM ION; LITHIUM; SODIUM;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; GEOMETRY; NORMAL DISTRIBUTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; SUPRAMOLECULAR CHEMISTRY; THEORETICAL MODEL; CHEMISTRY; CONFORMATION; THERMODYNAMICS;

CALIXARENES; LITHIUM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SODIUM; THERMODYNAMICS;

EID: 77951228202     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0573-3     Document Type: Article

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