{"id":"W4392907469","doi":"10.1002/ange.202402441","title":"Experimental Evidence for Non‐Fermi‐Contact <i>J</i> Coupling Across Chalcogen Bonds in Ionic Salt Cocrystal Polymorphs","year":2024,"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":"National Research Council Canada; University of Ottawa","funders":"National Research Council Canada; Natural Sciences and Engineering Research Council of Canada; Government of Canada","keywords":"Cocrystal; Chalcogen; Ionic bonding; Crystallography; Salt (chemistry); Coupling (piping); Chemistry; Materials science; Chemical physics; Ion; Hydrogen bond; Molecule; Physical chemistry; Organic chemistry; Metallurgy","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":[0.0001635219,0.0001717927,0.0002323687,0.0003381502,0.0002994433,0.0006643137,0.0004374499,0.0002586697,0.001433261],"category_scores_gemma":[0.0005334609,0.0002244885,0.00008347168,0.0003261185,0.0004768358,0.0002073447,0.0002924078,0.0002519181,0.0001790252],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003550209,"about_ca_system_score_gemma":0.0001624339,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001119096,"about_ca_topic_score_gemma":0.001946958,"domain_scores_codex":[0.9997031,0.00003221381,0.00002606782,0.00006242946,0.0001350238,0.00004103672],"domain_scores_gemma":[0.9995992,0.00009990824,0.0001069255,0.0000567005,0.00009621872,0.0000411603],"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":[0.00006615362,0.000007696202,0.001160445,0.00003729145,0.000007948302,0.00008842554,0.00004389479,0.00006340968,0.9971769,0.000205112,0.00006509385,0.0010776],"study_design_scores_gemma":[0.00001283857,0.00006159786,0.005317243,0.000002688744,0.00001271342,0.0002297085,0.00007285755,0.0005236981,0.9930253,0.00004042665,0.0006961563,0.000004865763],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9963596,0.0002059863,0.0009839686,0.0000291914,0.000005404096,0.000006987506,0.000191236,0.00004108823,0.002176614],"genre_scores_gemma":[0.9988285,0.0000574971,0.0006205487,0.000009915019,0.000001416504,0.000007102283,0.0001325928,0.00002046891,0.0003220103],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001433261,"threshold_uncertainty_score":0.004794717,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03864762623790059,"score_gpt":0.3406948831664584,"score_spread":0.3020472569285578,"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."}}