Mathematical chemistry

Mathematical chemistry is the zone of research occupied with novel applications of mathematics to chemistry it concerns itself mainly with the mathematical modeling of chemical phenomena. Mathematical chemistry sometimes also referred as computer chemistry but it is different from computational chemistry. Chemical graph theory is included in major areas of research in mathematical chemistry which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships and chemical aspects of group theory, which discovers applications in stereochemistry and quantum chemistry. Molecular graph and topological index are the basic models for mathematical chemistry.

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