Master-equation simulations with state-to-state rates from two independent potential energy surfaces show Arrhenius models underestimate N2 production by about 20 percent for NO + N, while including dissociation restores the correct 2:1 atomic ratio.
Construction of a coarse-grain quasi-classical trajectory method
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Reaction Dynamics for the [NNO] System from State-Resolved and Coarse-Grained Models
Master-equation simulations with state-to-state rates from two independent potential energy surfaces show Arrhenius models underestimate N2 production by about 20 percent for NO + N, while including dissociation restores the correct 2:1 atomic ratio.