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Mathematical Chemistry: An Emerging Field of Research

Abstract

Development of more current atoms is not a matter of chance. To minimize this lacuna of being blessed to become a professional, mathematical chemistry is the best solution. Mathematical chemistry is the exploration region visualized with novel utilizations of math and insights into science to add to a scientific model to fulfill the different wonders of science and organic components. Mathematical chemistry is an interdisciplinary subject as science gets to be more agreeable to numerically thorough study; it is likely that science will likewise turn into a ready and requesting consumer of new mathematical results. The level of intricacy of chemical problems is often very high, and modeling molecular behavior and chemical reactions does require new mathematical approaches [1]. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supra molecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. Computational chemistry and effect of quantum chemistry are the two essential mainstays of mathematical chemistry. Mathematical chemistry invade into the major research areas such as chemical graph theory which deals with topochemical and topological descriptors to justify a chemical structure along with its electronic configuration, connectivity indices and the study of isomerism [2]. Major applicable area of mathematical chemistry is quantitative structure activity relationships (QSAR), quantitative structure property relationships (QSPR), quantitative structure toxicity relationships (QSTR) and many more.

Saha S

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