RRKM (Rice-Ramsperger-Kassel-Marcus) unimolecular-rate framework (Marcus 1952 J Chem Phys 20, 359). Setup: for E > E_0 barrier, unimolecular rate k(E) = W(E - E_0) / (h rho(E)), with rho(E) reactant density of states and W(E - E_0) =…
RRKM (Rice-Ramsperger-Kassel-Marcus) unimolecular-rate framework (Marcus 1952 J Chem Phys 20, 359). Setup: for E > E_0 barrier, unimolecular rate k(E) = W(E - E_0) / (h rho(E)), with rho(E) reactant density of states and W(E - E_0) =…