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Computational Chemistry or Theoretical Chemistry is a relatively new scientific field that utilizes computational power, engineering principles and software development in order to provide predictions fast, accurately and cost effectively. Process simulation is a different field than Computational Chemistry. Process simulation deals with the design, test, control, optimization, operation and retrofitting of chemical plants. These topics include the desing, connection and optimization of a series of devices such as reactros, mixers, separators, tanks, and others.  Computational Chemistry tools offer a wide range of advantages when compared to traditional experimental approaches: -        They offer predictions for physical or chemical or electronic properties of compounds at very low fractions of time required in the laboratory; commonly result are taken after 1-2% of the estimated laboratory time -        They offer predictions at very low costs in comparison to traditional laboratory procedures, usually at ar