Python version of the amazing Reaction Mechanism Generator
Reaction Mechanism Generator (RMG) This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatically generating chemical reaction mechanisms for modeling reaction systems including pyrolysis, combustion, atmospheric science, and more. It also includes Arkane, the package for calculating thermodynamics, high-pressure-limit rate coefficients, and pressure dependent rate coefficients from quantum chemical calculations. Arkane is compatible with a variety of ab initio quantum chemistry software programs: Gaussian, MOPAC, QChem, and MOLPRO. GitHub https://github.com/ReactionMechanismGenerator/RMG-Py
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