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
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.