{"id":"W2513184071","doi":"10.1021/acs.organomet.5b00649","title":"Highly Diverse Bonding between Two U<sup>3+</sup> Ions When Ligated by a Flexible Polypyrrolic Macrocycle","year":2015,"lang":"en","type":"article","venue":"Organometallics","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":24,"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; Ion; Crystallography; Ligand (biochemistry); Center (category theory); Ground state; Density functional theory; Bond length; Conformational isomerism; Electron; Quadruple bond; Atomic physics; Computational chemistry; Molecule; Bond order; Crystal structure; Physics; Quantum mechanics","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002507825,0.0004198526,0.0004538198,0.00009442445,0.0003576627,0.0002165307,0.0005935632,0.0002223752,0.002352339],"category_scores_gemma":[0.0001281906,0.0004438559,0.0001338893,0.0005149981,0.0001439571,0.0004886865,0.0002312184,0.0004674916,0.0002605573],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003309539,"about_ca_system_score_gemma":0.0001565374,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000874734,"about_ca_topic_score_gemma":0.00000203762,"domain_scores_codex":[0.9977007,0.00003077757,0.0004547102,0.0006011135,0.0004967516,0.0007159838],"domain_scores_gemma":[0.998447,0.00009644048,0.0002336365,0.0005183985,0.0001280909,0.0005764541],"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":[0.00009341774,0.0003228306,0.02934629,0.0002573092,0.0006205543,0.00005175731,0.003893809,0.0001265001,0.9412171,0.0003999725,0.01957237,0.004098157],"study_design_scores_gemma":[0.001854869,0.00002729893,0.0000215589,0.00006419321,0.0002224677,0.00002249294,0.001568733,0.0003173659,0.866896,0.001552156,0.1267908,0.0006620124],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9428995,0.0004963857,0.0002143292,0.0006326636,0.00004932244,0.00008344359,0.0002984639,0.0004026716,0.05492324],"genre_scores_gemma":[0.9740428,0.00001774507,0.0008676001,0.0001240408,0.000564513,0.0000182239,0.0007399272,0.00008674504,0.02353836],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1072184,"threshold_uncertainty_score":0.9998013,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03549026176268575,"score_gpt":0.2748235184550002,"score_spread":0.2393332566923144,"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."}}