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According to the variational transition state theory (VTST) and RRKM [36] theory, the kinetic calculations for this multichannel and multiwell reaction were carried out via the MultiWell 2011 [27, 37] program on the basis of the PES obtained above in order to identify the likely mechanism and the branching ratios of various product channels.
The following text uses RRKM calculation to calculate rate constants and branching ratios of all reaction channels.
It was also a good experience in other respects -- the resulting theory (RRKM theory of unimolecular reactions) continues to be, some fifty years later, textbook material and the standard theory in its field.