The supplementary information (369 pages) contains: Pages S2 -S6 Fits to all 96 traces showing the raw data and final fit. At the top of each trace are the associated experimental conditions. Pages S7 -S99 An example MESMER input file for the analysis. The majority of the information, from page S12 onwards, are the experimental input data for each trace. Pages S100 -S369 The associated MESMER log file. The data from page S104 onwards are the experimental data and associated fit.
S2
Trace FitsPlots of the trace fits are shown below. Blue lines are the MESMER traces the red lines connect experimental points. For clarity only every other experimental point is plotted. S3 S4 S5 S6 S7 MESMER Input file Following is the MESMER input file for the fitting of the OH + C2H4 trace data. Ethylene + OH Gaussian 09, Revision D.01 6-311++G(3df,2p) (5D, 7F) g03 -112.133 2.00 0.964 5.