REPRESENTING AND UNDERSTANDING GEOMETRIC FEATURES OF ONE-DIMENSIONAL TUNNEL STRUCTURES IN SOLID INCLUSION-COMPOUNDS

被引：64

作者：

GEORGE, AR

HARRIS, KDM

机构：

[1] UNIV LONDON UNIV COLL, DEPT CHEM, LONDON WC1H 0AJ, ENGLAND

[2] UCL ROYAL INST GREAT BRITAIN, DAVY FARADAY RES LAB, LONDON, ENGLAND

来源：

JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 1995年 / 13卷 / 03期

关键词：

D O I：

10.1016/0263-7855(94)00016-L

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：138 / 141

页数：4

共 13 条

[1]

FETTERLY LC, 1964, NONSTOICHIOMETRIC CO, P491

[2] STRUCTURAL ASPECTS OF UREA INCLUSION-COMPOUNDS AND THEIR INVESTIGATION BY X-RAY-DIFFRACTION - A GENERAL DISCUSSION [J].