{"id":"W2410140839","doi":"10.1021/acs.inorgchem.5b00483","title":"Highly Valence-Diversified Binuclear Uranium Complexes of a Schiff-Base Polypyrrolic Macrocycle: Prediction of Unusual Structures, Electronic Properties, and Formation Reactions","year":2015,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Program for New Century Excellent Talents in University; Ministry of Education of the People's Republic of China; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"Chemistry; Uranyl; Uranium; Density functional theory; Crystallography; Metal; Valence (chemistry); Inorganic chemistry; Computational chemistry; Organic chemistry; Ion","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":[0.0001306553,0.0002371362,0.0002863151,0.00003715443,0.0001308862,0.00002978199,0.0002305001,0.0002086863,0.0002796379],"category_scores_gemma":[0.0001027716,0.0002399366,0.00006131759,0.0002120902,0.0002256749,0.0003318443,0.00008176518,0.0003610112,0.000001524906],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002585638,"about_ca_system_score_gemma":0.0002835715,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001005091,"about_ca_topic_score_gemma":0.000002574172,"domain_scores_codex":[0.9984913,0.00001707366,0.000505978,0.0003132888,0.0003594545,0.0003128911],"domain_scores_gemma":[0.9988738,0.00003215492,0.0004401075,0.0003086497,0.0001975414,0.0001477772],"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":[0.000251602,0.00008158448,0.0009277891,0.001483971,0.000083531,0.000001813671,0.0006387237,0.00001724206,0.9959713,0.00003478487,0.0001973155,0.0003103259],"study_design_scores_gemma":[0.001349469,0.00003528028,0.0001087377,0.00016573,0.00009737789,0.0001453498,0.00185792,0.0004500424,0.9945672,0.0003398341,0.0006904441,0.000192605],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960698,0.0008108459,0.00004464413,0.00006621541,0.00003194464,0.00007035762,0.0002391027,0.0000947873,0.002572268],"genre_scores_gemma":[0.9991683,0.00009620794,0.00008287686,0.000008486783,0.0001402977,0.00000622556,0.0001798797,0.00002684538,0.0002908248],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003098522,"threshold_uncertainty_score":0.978433,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03015739353290819,"score_gpt":0.2173479535148375,"score_spread":0.1871905599819293,"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."}}