G

gTOFfee

Project information

Python implementation of the graph-based formulation of the energy span model (Kozuch ACS Cat. 2015, Solel, Tarannam & Kozuch ChemComm 2019), to compute the TOF for complex catalytic cycles, including reactant and product concentration effects.

70 Commits
4 Branches
3 Tags
2 Releases

README
MIT License

Created on

April 01, 2020

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