Sensitivity analysis based on ab-initio calculations

Pre-requisites: -- Python 2.7 -- PAPR-MESS -- Numpy

Example inputs for regular master equation calculations (CH3+OH) and direct abstraction reactions (H2+O2) are provided. To run the code, modify the example input according to your system and the execute using Python.

Acknowledgement

The authors gratefully acknowledge support from the Department of Energy Gas Phase Chemical Physics program (DE-SC0019487).