{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002684662,0.0002094513,0.0002341287,0.0003857366,0.000427951,0.0009008092,0.0003931016,0.000544108,0.0007823406],"category_scores_gemma":[0.0003656603,0.0001855011,0.0001645528,0.0004186328,0.0004574003,0.0005222856,0.0003147985,0.0006546555,0.0003050018],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007101934,"about_ca_system_score_gemma":0.0003525038,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005309613,"about_ca_topic_score_gemma":0.00519058,"domain_scores_codex":[0.9998457,0.00001320715,0.000008843247,0.00003883225,0.00006728437,0.00002601397],"domain_scores_gemma":[0.9997864,0.00002281028,0.00003094102,0.00002668522,0.0001144598,0.00001867621],"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":[0.0002977485,0.00006060995,0.005217416,0.0001893735,0.00003261673,0.0002284037,0.0003599701,0.002503273,0.9633517,0.002334763,0.00248558,0.02293858],"study_design_scores_gemma":[0.0000357486,0.0002626472,0.02966191,0.00004092024,0.00003864062,0.0004907149,0.0004781168,0.01130506,0.9027606,0.001457604,0.05340852,0.00005971983],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9796296,0.008048393,0.0050375,0.0008877924,0.0001072892,0.00001683301,0.001182696,0.0001975677,0.00489223],"genre_scores_gemma":[0.986614,0.002282279,0.004099602,0.0002044617,0.00002048336,0.00001224729,0.002208868,0.00005371831,0.004504325],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005309613,"threshold_uncertainty_score":0.01055741,"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."}}