A Combinatorial Description of Structure and Properties of Chemical Compounds
Séminaire lotharingien de combinatoire, Tome 07 (1983)

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Chemistry is concerned with relations between structure and properties of chemical compounds. Such connections cannot be found by investigating just some single compounds but only by systematic comparison, involving compounds of appropriate classes. Appropriate means that within such a class the structure of compounds varies in a well-defined and lucid fashion. Mappings between finite sets are particularly suitable for defining and parametrizing variations of chemical structure.

Within this setting quite different problems can be stated and treated. We are going to consider:

  1. the symmetry of substitution patterns;
  2. a cluster expansion of properties of composite systems.

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     author = {>Werner H\"asselbarth},
     title = {A {Combinatorial} {Description} of {Structure} and {Properties} of {Chemical} {Compounds}},
     journal = {S\'eminaire lotharingien de combinatoire},
     publisher = {mathdoc},
     volume = {07},
     year = {1983},
     url = {http://geodesic.mathdoc.fr/item/SLC_1983_07_a4/}
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>Werner Hässelbarth. A Combinatorial Description of Structure and Properties of Chemical Compounds. Séminaire lotharingien de combinatoire, Tome 07 (1983). http://geodesic.mathdoc.fr/item/SLC_1983_07_a4/