Groupoid of Intermolecular Contacts and its Fuzzy Cayley Graph
A. M. Banaru, D. А. Banaru, Sergey M. Aksenov · Moscow University Chemistry Bulletin · 2023
Abstract This article defines 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 definition 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.