{"paper":{"title":"Reaction Pathway Detection using Machine-Learned Energy Potentials -- Decomposition of Energized CF$_3$CHOO","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Cangtao Yin, Markus Meuwly","submitted_at":"2026-07-07T15:19:14Z","abstract_excerpt":"Characterization of the decomposition products of energized Criegee intermediates is essential for assessing their impact on the chemical evolution of the atmosphere. Here, a generic and microscopically resolved approach is used to determine the molecular fragmentation pathways and products for CF$_3$CHOO. They include, among others, direct formation of CO$_2$ + CHF$_3$ (HFC-23), HF + CO$_2$ + CF$_2$, and fragmentation routes that are not evident from static reaction path calculations alone. The computed probability for formation of HFC-23 of 14 \\% qualitatively agrees with a value of $(7.9^{+"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.06380","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2607.06380/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}