The kSC.py script can determine the rate constant (and other parameters) including tunneling effect of any reaction. It incorporates several types of potential barriers, from squared to Eckart potentials.
The user manual can be found in documentation/user_manual.pdf
The theoretical background of the formulae can be found in documentation/theoretical_background.pdf
When using this code for research, please cite:
@article{D2CP04051D,
author ="Serra-Peralta, Marc and Domínguez-Dalmases, Christian and Rimola, Albert",
title ="Water formation on interstellar silicates: the role of Fe2+/H2 interactions in the O + H2 → H2O reaction",
journal ="Phys. Chem. Chem. Phys.",
year ="2022",
volume ="24",
issue ="46",
pages ="28381-28393",
publisher ="The Royal Society of Chemistry",
doi ="10.1039/D2CP04051D",
url ="http://dx.doi.org/10.1039/D2CP04051D"