| Literature DB >> 7577840 |
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.Entities:
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Year: 1995 PMID： 7577840 DOI： 10.1016/0263-7855(94)00016-l
Source DB: PubMed Journal: J Mol Graph ISSN： 0263-7855