{"id":"W1991982517","doi":"10.1021/ic7015403","title":"Crown Ether Inclusion Complexes of the Early Actinide Elements, [AnO<sub>2</sub>(18-crown-6)]<sup><i>n</i>+</sup>, An = U, Np, Pu and<i>n</i>= 1, 2: A Relativistic Density Functional Study","year":2008,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":125,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"","keywords":"Chemistry; Actinide; Crown ether; Inclusion (mineral); Crown (dentistry); Radiochemistry; Nuclear chemistry; Organic chemistry; Mineralogy; Ion","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001074117,0.000305783,0.000299933,0.0001528517,0.0002862375,0.0002266009,0.0004614807,0.0002486686,0.001378269],"category_scores_gemma":[0.0001456644,0.0001159005,0.0001378101,0.0002234424,0.0001985241,0.0001807085,0.0002621866,0.0002156918,0.0001243428],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002712741,"about_ca_system_score_gemma":0.0001565668,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001986281,"about_ca_topic_score_gemma":0.002932731,"domain_scores_codex":[0.9999453,0.00001024287,0.000003138966,0.000009036399,0.00001864588,0.00001374791],"domain_scores_gemma":[0.9999424,0.00002066061,0.00001130789,0.000005153069,0.00001153678,0.000008862204],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001581236,0.0003925565,0.003591302,0.002308785,0.0002410046,0.0006768688,0.0006580498,0.04799853,0.8975607,0.01983785,0.00252604,0.02262708],"study_design_scores_gemma":[0.0003022449,0.003095786,0.01095066,0.0001572704,0.0003453948,0.0006881715,0.00099314,0.2022297,0.7551599,0.003828205,0.02213521,0.0001143751],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964014,0.000697655,0.0006773144,0.00002765466,0.00001427774,0.000009178749,0.0000726052,0.0000147649,0.002085105],"genre_scores_gemma":[0.9972097,0.0006709882,0.0009133433,0.00002396269,0.000007899217,0.00001536893,0.0001673795,0.000009647002,0.0009818035],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001986281,"threshold_uncertainty_score":0.004610777,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02141027786962021,"score_gpt":0.2371850315598187,"score_spread":0.2157747536901985,"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."}}