The most common methods for estimating rate constants for elementary and complex atmospheric chemical reactions are presented. The presented methods are categorized into dynamical, statistical-dynamical and statistical methods. The type of information about the system that is needed in order to estimate the rate constant is discussed. The bottleneck in these methods is the accuracy of the potential energy surface/reaction path. This problem is discussed and recommendations of methods are given.
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Gross, A., JØrgensen, S. (2008). Theoretical Determinations Of Reaction Parameters For Atmospheric Chemical Reactions. In: Barnes, I., Kharytonov, M.M. (eds) Simulation and Assessment of Chemical Processes in a Multiphase Environment. NATO Science for Peace and Security Series C: Environmental Security. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-8846-9_3
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