{"id":"W4248000679","doi":"10.1002/ange.201909050","title":"Snapshots of a Migrating H‐Atom: Characterization of a Reactive Iron(III) Indenide Hydride and its Nearly Isoenergetic Ring‐Protonated Iron(I) Isomer","year":2019,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Metalloenzymes and iron-sulfur proteins","field":"Energy","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Resnick Sustainability Institute for Science, Energy and Sustainability, California Institute of Technology; Dow Chemical Company; U.S. Department of Energy","keywords":"Chemistry; Protonation; Hydride; Indene; Reactivity (psychology); Ring (chemistry); Electron transfer; Electron paramagnetic resonance; Metal; Proton; Proton-coupled electron transfer; Atom (system on chip); Crystallography; Photochemistry; Stereochemistry; Medicinal chemistry; Ion; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001037563,0.0002237252,0.0002319888,0.0002539846,0.0003967323,0.0002994441,0.0005236025,0.0004695741,0.00349107],"category_scores_gemma":[0.0001776853,0.0002227821,0.0001690983,0.0002358136,0.0002970777,0.000339361,0.00026302,0.0005865848,0.0001823824],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003851833,"about_ca_system_score_gemma":0.0001518243,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001897323,"about_ca_topic_score_gemma":0.002226261,"domain_scores_codex":[0.999953,0.00000308085,0.00000135466,0.000008269279,0.00001798979,0.00001625163],"domain_scores_gemma":[0.999922,0.00002109882,0.00001042655,0.00001052411,0.00001662052,0.00001944781],"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":[0.0009286419,0.0002147074,0.00555712,0.0001761415,0.00005617909,0.001440759,0.000425366,0.01228675,0.9694342,0.0009161006,0.001433298,0.007130708],"study_design_scores_gemma":[0.0001528068,0.001533184,0.06212844,0.00003972375,0.00007577872,0.0009035782,0.001087829,0.1516365,0.7755018,0.001021587,0.005838451,0.00008023118],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964713,0.00008413717,0.0009079512,0.00006186015,0.00000757936,0.00001202131,0.0004517322,0.00009335358,0.001910114],"genre_scores_gemma":[0.9982948,0.00006152614,0.0007751553,0.00001398331,0.000002424744,0.000007832247,0.0003878389,0.0000288208,0.0004276917],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00349107,"threshold_uncertainty_score":0.01167881,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01067957906847523,"score_gpt":0.2173509622786548,"score_spread":0.2066713832101796,"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."}}