Supplement Number 1
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posted on 2025-04-14, 04:04 authored by Kam-Tung Chan, Margaret Berrens, Zekun Chen, C. McCurdy, Cort Anastasio, Davide Donadio(1) data from gas-phase calculations; (2) electronic properties of $\mathrm{NH_{4}NO_{3}}$ solution; (3) non-spontaneous dissociation of $\mathrm{T_{1}}$ in solution; (4) unbiased AIMD trajectories in solution from the transition state; (5) error analysis of the multiple walkers well-tempered metadynamics simulation; and (7) details of the rate constants calculations.
