Machine-learned PES molecular dynamics of energized CF₃CHOO reveal multiple non-statistical decomposition pathways, predicting a 14% yield of HFC-23 (CHF₃), qualitatively agreeing with experimental measurements.
Science , volume = 254, number = 5030, pages =
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Reaction Pathway Detection using Machine-Learned Energy Potentials -- Decomposition of Energized CF$_3$CHOO
Machine-learned PES molecular dynamics of energized CF₃CHOO reveal multiple non-statistical decomposition pathways, predicting a 14% yield of HFC-23 (CHF₃), qualitatively agreeing with experimental measurements.