N. Muller et al., TOPOLOGICAL SPECIFICATION OF ENSEMBLES OF MOLECULES AS A BASIS OF STEREOCHEMICAL CONSIDERATIONS, Journal of molecular structure. Theochem, 336(2-3), 1995, pp. 209-225
A basis for a definite notation of ensembles of molecules is found. It
also considers dynamically stereochemical and conformational properti
es. Mathematical methods introduced by permutational isomerism allow t
he consistent description of atoms of any valency. A concept for model
ling of stereochemical reactions is created.