Report 77 23 Generalized Modes . Stanford James G. 1977
–AI Classics/files/AI/classics/KSL REPORTS/Report 77-23.pdf
Reprinted with permission from the Journal of the American Chemical Society, Vol.99,No.7,pp.2063-2069. Abstract: A stereoisomerizat ion mode can be defined as a set of symmetry equivalent degenerate rearrangements of a molecular skeleton. The key mathematical constructions in this definition are the double cosets of the skeletal point group in some larger permutation group of identically substituted skeletal sites. S,,L x S.s. is defined which includes all permutations which act on ligand and site labels separately. The generalized stereoisomerization modes are found to be collections of double cosets in this group.
Jan-25-2015, 20:44:32 GMT