Elucidating the structures and binding of halide ions bound to cucurbit[6]uril, hemi-cucurbit[6]uril and bambus[6]uril using DFT calculations

Mahesh Sundararajan, Rajadurai Vijay Solomon, Swapan K. Ghosh, Ponnambalam Venuvanalingam
  • RSC Advances, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c1ra00266j

What is it about?

How differnt anions bind to three different host molecules - Answers from DFT study. The weak interactions which held together the anions on cavities is explored using AIM topological analysis.

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The following have contributed to this page: VIJAY SOLOMON RAJADURAI and Dr Mahesh Sundararajan