{"id":"W3184574250","doi":"10.1002/anie.202108843","title":"After 200 Years: The Structure of Bleach and Characterization of Hypohalite Ions by Single‐Crystal X‐Ray Diffraction**","year":2021,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Government of Canada","keywords":"Bleach; Raman spectroscopy; Single crystal; Chemistry; Chlorine; Sodium hypochlorite; Density functional theory; Crystal structure; Supramolecular chemistry; Hypochlorite; Crystallography; Ion; X-ray photoelectron spectroscopy; Characterization (materials science); Inorganic chemistry; Materials science; Nanotechnology; Computational chemistry; Organic chemistry; Chemical engineering; Physics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002857031,0.0002106188,0.0002449651,0.0003926887,0.0004302773,0.0009171361,0.0004001037,0.0005472935,0.0007722423],"category_scores_gemma":[0.0003847736,0.0001868485,0.0001658616,0.0004405825,0.0004571764,0.0005391799,0.0003212812,0.0006721168,0.0003094743],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007120062,"about_ca_system_score_gemma":0.0003720795,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005559389,"about_ca_topic_score_gemma":0.005329907,"domain_scores_codex":[0.9998366,0.00001403125,0.000009563693,0.0000404453,0.00007275941,0.00002671668],"domain_scores_gemma":[0.9997701,0.00002448392,0.00003192377,0.00002801838,0.0001259383,0.00001950733],"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":[0.0003169633,0.00006237433,0.005301087,0.0002043631,0.00003348826,0.0002407265,0.0003767243,0.002606105,0.9604882,0.002430031,0.002687255,0.02525278],"study_design_scores_gemma":[0.00003568775,0.000268447,0.03035677,0.00004404647,0.00003982927,0.0005124996,0.0005001525,0.01122755,0.8984727,0.001501246,0.05697878,0.0000622973],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9778425,0.009089177,0.005401203,0.0009682319,0.0001181179,0.00001812525,0.00127814,0.0002046256,0.00508006],"genre_scores_gemma":[0.9854913,0.002586624,0.004396661,0.0002226581,0.00002172644,0.00001290205,0.002429298,0.00005566204,0.004783222],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005559389,"threshold_uncertainty_score":0.01105404,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005662572285979587,"score_gpt":0.2158228960055816,"score_spread":0.2101603237196021,"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."}}