Exploring the features on the OH + SO2 potential energy surface using theory and testing its accuracy by comparison to experimental dataElectronic supplementary information (ESI) available: The supporting information contains Fig. S1, parametrized forms for k1(T,p), for a range of buffer gases and the input file for the MESMER master equation analysis. See DOI: 10.1039/c8cp00091c

Ab initio theory has been used to identify the pre-reaction complex in the atmospherically important reaction between OH + SO 2 , (R1), where the binding energy of the pre-reaction complex was determined to be 7.2 kJ mol −1 . Using reaction rate theory, implemented with the master equation package M...

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Hauptverfasser:	Medeiros, D. J, Blitz, M. A, Seakins, P. W
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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