GROUPOID OF INTERMOLECULAR CONTACTS AND ITS FUZZY CAYLEY GRAPH

Abstract

The article defi nes a group of intermolecular contacts for a monosystemic molecular structure described by one of the crystallographic symmetry groups (space, subperiodic, point) in n-dimensional Euclidean space with unoccupied special positions. The defi nition of a monoid of contacts for a polysystemic molecular structure is given. Crisp and fuzzy Cayley graphs of groups and monoids of contacts are constructed. Some examples of crystal structures are considered.