Affiliation:
1. Institut für Organische Chemie, Technische Universität München, D-8046 Garching
Abstract
Abstract
A formal concept for the treatment of the bond and electron shifts in pericyclic reactions is developed. A new data structure for the representation of molecules allows the design of efficient algorithms. This resulted in a computer program for the exhaustive generation of pericyclic reactions.
Cited by
4 articles.
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1. Computer-Assisted Investigation of Possible Rearrangements of (Ch)N (N = 4,6,8,10) Annulenes;Bulletin des Sociétés Chimiques Belges;2010-09-01
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