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Representing and understanding geometric features of one-dimensional tunnel structures in solid inclusion compounds
1Department of Chemistry, University College London, U.K.
Journal of Molecular Graphics
|June 1, 1995
Abstract:
A computational method is presented for probing geometric, topological, and structural characteristics of one-dimensional tunnel structures in solid inclusion compounds. The method is illustrated for the urea and thiourea inclusion compounds, highlighting important structural differences between the urea and thiourea tunnel structures, and potential areas of application of the methodology are discussed.