Literature DB >> 15032540

Molecular symmetry perception.

Julian Ivanov1.   

Abstract

An algorithm for molecular symmetry perception is presented. The method identifies the full set of molecular symmetry elements (proper and improper) and determines their coordinates. The algorithm eliminates the necessity to explore the entire graph automorphism group; as a result its computer application is extremely effective. Application to several dendrimers and fullerenes with high topological symmetry is presented.

Year:  2004        PMID: 15032540     DOI: 10.1021/ci0341868

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN: 0095-2338


  1 in total

1.  Symmetry numbers for rigid, flexible, and fluxional molecules: theory and applications.

Authors:  Michael K Gilson; Karl K Irikura
Journal:  J Phys Chem B       Date:  2010-12-16       Impact factor: 2.991

  1 in total

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