Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
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DOI: 10.1021/acs.jcim.0c01480
Abstract: In chemical kinetics research, kinetic models containing hundreds of species and tens of thousands of elementary reactions are commonly used to understand and predict the behavior of reactive chemical systems. Reaction Mechanism Generator (RMG) is… read more here.
Keywords: rmg; reaction mechanism; mechanism generator; mechanism ... See more keywords