Graph theory originated and developed within a mathematical framework quite distinct from that of chemical kinetics, yet it can also prove to be a powerful tool in this field.[1] One of its most significant applications lies in the derivation of reaction rate expressions.
Domina, P.; Bertini, M.; Ferrante, F.; Gueci, L.; Duca, D. (1-2 dicembre 2025).Graph-based DFT microkinetic analysis of heterogeneous catalytic systems.
Graph-based DFT microkinetic analysis of heterogeneous catalytic systems
Marco Bertini;Francesco Ferrante;Laura Gueci;Dario Duca
Abstract
Graph theory originated and developed within a mathematical framework quite distinct from that of chemical kinetics, yet it can also prove to be a powerful tool in this field.[1] One of its most significant applications lies in the derivation of reaction rate expressions.
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