Reaction Mechanism Generator (RMG)

Automatically generates chemical reaction mechanisms for pyrolysis, combustion and more.

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Reaction Mechanism Generator automatically constructs chemical reaction mechanisms for systems such as pyrolysis, combustion and atmospheric chemistry. It includes Arkane for computing thermodynamics and rate coefficients from quantum chemistry output produced by packages like Gaussian, Orca and Psi4. It is used by chemical kinetics researchers who would otherwise assemble reaction mechanisms by hand.

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