Topological aspects, chemical bonding

The basic aspects of the structural systematic and the chemical bonding are discussed as well as ambiguous topological aspects and selected physical properties (magnetism, conductivity) of the respective alloys. 

Burdett, J.K. (1995) Topological aspects of chemical bonding and structure explored through the method of moments./. Mol. Struct. (Theochem), 336, 115-136. 

We discuss here the chemical bonding aspects that determine this surface topology dependence. 

Besides immediate practical applications in fields such as drug design, molecular surfaces contribute to the transformation of modernizing the conceptual arsenal of chemistry, long dominated by line drawings of chemical bonds of structural formulas. Molecular surfaces have led to a true appreciation of the three-dimensional aspects of molecules, important in all branches of chemistry. Precise methods for the analysis of the shapes of these surfaces are available using the topological shape codes and provide tools for the numerical evaluation of such elusive but important properties as measures of molecular similarity and shape complementarity. 

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