Abstract
Reaction route analysis is applied to visualize reaction networks in several heterogeneous catalytic reactions. Combination of the theory of complex reactions with the notion of catalytic cycles results in a topological representation of complex mechanisms with the nodes comprising all possible surface species including free sites and branches indicating interconnections between reactions.
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Murzin, D.Y. On the topological representation of catalytic cycles with nonlinear steps. React Kinet Catal Lett 90, 225–232 (2007). https://doi.org/10.1007/s11144-007-5018-3
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DOI: https://doi.org/10.1007/s11144-007-5018-3