https://doi.org/10.15255/KUI.2016.010
Published: Kem. Ind. 65 (7-8) (2016) 401–405
Paper reference number: KUI-10/2016
Paper type: Professional paper / Chemistry in Teaching
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Combinatorics in Chemistry

F. M. Brueckler

Abstract

The article gives an overview of basic combinatorial principles (permutations and combinations with and without repetitions) which are applied in chemistry, with the emphasis on methods for the enumeration of specific types of molecules. In particular, starting from the basic notions of the graph theory, it describes how to count certain types of graphs corresponding to certain classes of molecules.

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Keywords

chemistry education, combinatorics, graph theory, molecular graphs, enumeration of isomers