Elucidating the mechanism of binding of chromate to cucurbit[6]uril: A DFT study

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Volumn 72, Issue 3-4, 2012, Pages 437-441

  Sundararajan, Mahesh ^a   Ghosh, Swapan K ^a,b  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

^b HOMI BHABHA NATIONAL INSTITUTE   (India)

Author keywords

Binding affinity; Chromate; Cucurbituril; Density functional theory; Solvation and mechanism

Indexed keywords

EID: 84860505669     PISSN: 09230750     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10847-011-0008-5     Document Type: Article

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