Two machine-learned potentials for protonated oxalate agree closely on vibrational energies, IR spectra, and hydrogen tunneling splittings despite using different regression techniques.
Yu and et al.,MULTIMODE, the n-mode Represen- tation of the Potential and Illustrations to IR Spectra of Glycine and Two Protonated Water Clusters., edited by J
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Fidelity of Machine Learned Potentials: Quantitative Assessment for Protonated Oxalate
Two machine-learned potentials for protonated oxalate agree closely on vibrational energies, IR spectra, and hydrogen tunneling splittings despite using different regression techniques.