A theoretical analysis of a classic example of supramolecular catalysis

Literature Information

Publication Date 2006-11-21
DOI 10.1039/B613434C
Impact Factor 6.222
Authors

Peter Carlqvist


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Abstract

Computational chemistry is used to study a 1,3-dipolar cycloaddition between an azide and an alkyne inside the macrocycle cucurbit[6]uril, in order to elucidate the catalytic function of a highly efficient supramolecular catalyst.

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