{"id":"W2150430437","doi":"10.1021/ja100216c","title":"Metallization of a Hypervalent Radical Dimer: Molecular and Band Perspectives","year":2010,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Organic and Molecular Conductors Research","field":"Materials Science","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Dimer; Crystallography; Hypervalent molecule; Crystal structure; Monoclinic crystal system; Band gap; Bond length; Ambient pressure; Chemical physics; Condensed matter physics; Physical chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003541709,0.00007007126,0.0002180678,0.00001099209,0.00004116859,0.00001966774,0.0002773612,0.00003538017,0.00008459111],"category_scores_gemma":[0.0002978201,0.00004243727,0.0002169966,0.0001543426,0.001003722,0.0000544938,0.0001031777,0.0002915445,7.56575e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002604397,"about_ca_system_score_gemma":0.00009243066,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001766342,"about_ca_topic_score_gemma":2.514834e-7,"domain_scores_codex":[0.9991035,0.00006218051,0.0002058882,0.0001052964,0.0003965335,0.0001265938],"domain_scores_gemma":[0.9992877,0.00005508014,0.0002836798,0.0001449285,0.0001375513,0.00009101476],"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":[0.00001694742,0.00005378272,0.0004573892,0.000007646064,0.0000349592,0.0000011024,0.0005767683,8.985322e-7,0.9983559,0.00009370307,0.0002148136,0.0001860477],"study_design_scores_gemma":[0.0001968057,0.00005164206,0.0008515471,0.000007710929,0.00004197298,0.00005195681,0.0006936444,0.00001629721,0.9975681,0.0001544903,0.0003162764,0.00004956217],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998041,0.0003206544,0.0004264092,0.001060323,0.00006940691,0.00004490338,0.000002182652,0.000003207251,0.00003187444],"genre_scores_gemma":[0.9960197,0.00009452205,0.003670724,0.0001251837,0.00006673294,5.051318e-7,1.177181e-7,0.000008357752,0.00001414962],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003244315,"threshold_uncertainty_score":0.3698256,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008164283453963427,"score_gpt":0.2619271742823093,"score_spread":0.2537628908283459,"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."}}