Abstract
In this work, we present a statistical adiabatic channel model for termolecular reactions, A + B + C → Products. Our approach relies on hyperspherical coordinates, where the adiabatic channels are readily defined in the hyper-radius after averaging the hyperangular degrees of freedom. In this way, we find a general expression for termolecular rate constants. We focus on ion-neutral association reactions to test our approach’s accuracy and predictive power, finding a good agreement between theory and experiment, especially in those reactions’ temperature dependence.
| Original language | English |
|---|---|
| Article number | 144305 |
| Journal | Journal of Chemical Physics |
| Volume | 161 |
| Issue number | 14 |
| DOIs | |
| State | Published - Oct 14 2024 |
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