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Alexander M. Banaru, Daria A. Banaru, Sergey M. Aksenov
Groupoid of
intermolecular contacts and its fuzzy Cayley graph
Abstract
Annotation. The 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.
Key words: molecular
crystal, intermolecular contact, fuzzy set, groupoid, Cayley graph
Copyright (C) Chemistry Dept., Moscow State University, 2002
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