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

Authors
GEORGE AR HARRIS KDM
Citation
Ar. George et Kdm. Harris, REPRESENTING AND UNDERSTANDING GEOMETRIC FEATURES OF ONE-DIMENSIONAL TUNNEL STRUCTURES IN SOLID INCLUSION-COMPOUNDS, Journal of molecular graphics, 13(3), 1995, pp. 138-141
Citations number
13
Categorie Soggetti
Computer Science Interdisciplinary Applications",Biology,Crystallography
Journal title
Journal of molecular graphics → ACNP
ISSN journal
02637855
Volume
13
Issue
3
Year of publication
1995
Pages
138 - 141
Database
ISI
SICI code
0263-7855(1995)13:3<138:RAUGFO>2.0.ZU;2-R
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 a nd thiourea inclusion compounds, highlighting important structural dif ferences between the urea and thiourea tunnel structures, and potentia l areas of application of the methodology are discussed.