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MESMER is designed to analyze and simulate reactions in the gas phase that take place on a potential energy surface that is characterized by having one or more potential wells, and which are typically described by rate coefficients that depend on pressure (or concentration) as well as temperature. MESMER allows you to simulate systems over a wide range of pressures and temperatures, extract rate coefficients, analyze experimental data, fit model parameters and represent rate coefficients in formats that can be used directly in large scale simulations (e.g. Cantera or Chemkin).
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GNU General Public License version 2.0 (GPLv2)Follow MESMER
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Mesmer is really convenient! But how could we see the computational TST k(T)s if using testRateConstants? It seems that only the result of testMicroRates could be output.