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Spartan is a molecular modeling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods. It implements a new method for estimating the reaction rate in multi-stage reactions in the presence of multi-stage control. The method can be used to assess the effect of the concentration of starting materials and various factors on the reaction rate, including the efficiency of catalysts. The method is implemented as code in a programming language. This will make it possible to apply the developed algorithms to solve new problems that arise in modern chemical research. http://www.interprys.it/?p=4405
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