{"id":"W4320710286","doi":"10.1002/anie.202301190","title":"Direct π‐Activation vs. <i>O</i> ‐Activation in Halogen‐Bonding Catalysis","year":2023,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Centre in Green Chemistry and Catalysis; Université de Sherbrooke","funders":"Fonds de recherche du Québec – Nature et technologies; Alliance de recherche numérique du Canada; Hydro-Québec; Centre in Green Chemistry and Catalysis; Compute Canada; Natural Sciences and Engineering Research Council of Canada; Université de Sherbrooke","keywords":"Halogen; Catalysis; Halogen bond; Chemistry; Solvent polarity; Solvent; Polarity (international relations); Activation energy; Solvent effects; Photochemistry; Organic chemistry","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":[0.000351888,0.0004113496,0.0004775114,0.0002114853,0.0004467981,0.0008971825,0.0007840358,0.0006258314,0.005342319],"category_scores_gemma":[0.0003630958,0.0002378937,0.0003315984,0.0002821535,0.0006569508,0.0009776992,0.0008192226,0.0006880425,0.000593683],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006645334,"about_ca_system_score_gemma":0.0004393028,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001292931,"about_ca_topic_score_gemma":0.002173682,"domain_scores_codex":[0.9998602,0.00003128692,0.000004838224,0.00001863414,0.0000366683,0.00004834887],"domain_scores_gemma":[0.9999226,0.0000474207,0.000007576987,0.000008208975,0.000005879129,0.000008271985],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001463924,0.0004847955,0.005347519,0.003329152,0.0002017415,0.001248806,0.0005638984,0.229503,0.1381743,0.5123813,0.006966835,0.1003348],"study_design_scores_gemma":[0.0006269439,0.001139151,0.003953153,0.0002782741,0.0001974061,0.0005434655,0.0008271058,0.5932319,0.1256486,0.2462338,0.02712382,0.0001964307],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8965904,0.01143167,0.02686813,0.001003972,0.0001840045,0.00006492143,0.0002855527,0.0002287598,0.06334262],"genre_scores_gemma":[0.9921199,0.003240361,0.002899193,0.00007389991,0.00001655534,0.00004654319,0.0001049483,0.00003009402,0.001468453],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005342319,"threshold_uncertainty_score":0.0178718,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01436355305313576,"score_gpt":0.2608107184346333,"score_spread":0.2464471653814975,"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."}}