{"id":"W4413928150","doi":"10.1021/jacs.5c09162","title":"Shake-Down Spectroscopy as State- and Site-Specific Probe of Ultrafast Chemical Dynamics","year":2025,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Electron and X-Ray Spectroscopy Techniques","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; University of Ottawa","funders":"Basic Energy Sciences; Division of Physics; Science and Technology Facilities Council; Novo Nordisk Fonden; Vetenskapsrådet; Knut och Alice Wallenbergs Stiftelse; University of Southampton; Engineering and Physical Sciences Research Council; Leverhulme Trust","keywords":"Chemistry; Ultrashort pulse; Shake; Spectroscopy; Chemical physics; Chemical state; Dynamics (music); Chemical Dynamics; State (computer science); Nanotechnology; Nuclear magnetic resonance; Optics; Quantum mechanics; X-ray photoelectron spectroscopy; Physics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00013651,0.0002095164,0.0001068465,0.00032251,0.000146139,0.0002853163,0.0003653037,0.0004084072,0.001812135],"category_scores_gemma":[0.0002099726,0.0001421942,0.00007176515,0.0001867413,0.0002365186,0.0004803297,0.0002501204,0.0005261602,0.0002130311],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001966704,"about_ca_system_score_gemma":0.0001306632,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003558852,"about_ca_topic_score_gemma":0.0006873076,"domain_scores_codex":[0.9999354,0.000007674929,0.000002239683,0.000022166,0.00002099147,0.00001151392],"domain_scores_gemma":[0.9998879,0.0000444048,0.00002063306,0.00001514522,0.00001676532,0.00001505924],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00003576273,0.00001061305,0.0002702986,0.00001805583,0.000002626718,0.00002164311,0.00002268124,0.0001829888,0.9960598,0.0003605515,0.00006245553,0.002952524],"study_design_scores_gemma":[0.000004185109,0.00006490105,0.004210605,0.000003256309,0.00000440235,0.00006647702,0.00003288194,0.007501012,0.9871177,0.0002956746,0.0006925385,0.000006356111],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9598594,0.0005295124,0.03544427,0.0001236848,0.00002335329,0.000022173,0.0002783416,0.0004318376,0.00328744],"genre_scores_gemma":[0.9700904,0.0003615953,0.02587915,0.00006143295,0.00001066689,0.00003886659,0.0001933718,0.00003966322,0.003324859],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001812135,"threshold_uncertainty_score":0.00606215,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005105981414241551,"score_gpt":0.2623132737006819,"score_spread":0.2572072922864403,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}