{"id":"W4206116029","doi":"10.1002/ange.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","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"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; Sodium hypochlorite; Chlorine; Chemistry; Hypochlorite; Supramolecular chemistry; Density functional theory; Crystal structure; Single crystal; Ion; Crystallography; Characterization (materials science); X-ray photoelectron spectroscopy; Inorganic chemistry; Materials science; Nanotechnology; Computational chemistry; Organic chemistry; Chemical engineering; Optics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00002077709,0.0001062034,0.0001401615,0.00002555213,0.00003522455,0.00002504772,0.00006590658,0.000102367,0.0008080101],"category_scores_gemma":[0.00002870508,0.00009266482,0.0000962422,0.0001420412,0.00009496916,0.00009183891,0.0000432957,0.0001480989,3.23374e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001461449,"about_ca_system_score_gemma":0.00002229199,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000213521,"about_ca_topic_score_gemma":0.00002288211,"domain_scores_codex":[0.9993629,0.00001330291,0.0001998804,0.0001749232,0.0001340177,0.0001149079],"domain_scores_gemma":[0.9994354,0.00004384429,0.000128176,0.0002546405,0.00009865739,0.00003923289],"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":[0.0000267987,0.00008985659,0.0011314,0.00006407792,0.00009531655,0.000005087765,0.0004529004,6.169533e-7,0.9977103,0.000009733482,0.0002378715,0.0001759983],"study_design_scores_gemma":[0.0002059528,0.000008370333,0.004261792,0.00005379202,0.00008431113,0.00002775352,0.0002849822,0.000001346108,0.9648599,0.00003748886,0.0300852,0.00008912744],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973973,0.0005623403,0.00005781393,0.0001303442,0.00005668321,0.00003583129,0.0007699905,0.00001418599,0.0009754799],"genre_scores_gemma":[0.9983973,0.0001311982,0.00005554215,0.00007102377,0.0000610835,0.000005352788,0.0005415647,0.00001495505,0.0007220028],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03285046,"threshold_uncertainty_score":0.8847144,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006144599397173522,"score_gpt":0.2064653590526805,"score_spread":0.200320759655507,"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."}}