{"id":"W2481959228","doi":"10.1039/c6cp05429c","title":"On the multi-reference nature of plutonium oxides: PuO<sub>2</sub><sup>2+</sup>, PuO<sub>2</sub>, PuO<sub>3</sub> and PuO<sub>2</sub>(OH)<sub>2</sub>","year":2017,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Narodowe Centrum Nauki; Fundacja na rzecz Nauki Polskiej; Agence Nationale de la Recherche; European Commission","keywords":"Plutonium; Electronic structure; Actinide; Chemistry; Density functional theory; Degenerate energy levels; Electron configuration; Electron; Physics; Computational chemistry; Atomic physics; Quantum mechanics; Nuclear physics; Inorganic 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00011247,0.0002532587,0.0001285622,0.0002702518,0.0005653549,0.0003763576,0.0004443942,0.0002341548,0.003622619],"category_scores_gemma":[0.0003850198,0.0001102119,0.00009312071,0.0002697336,0.0005004818,0.0004928285,0.0003960017,0.0003461549,0.0004533108],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001271262,"about_ca_system_score_gemma":0.00009006156,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001848887,"about_ca_topic_score_gemma":0.0004696849,"domain_scores_codex":[0.9999368,0.000009113174,0.000002537321,0.00001645313,0.0000261855,0.000008832909],"domain_scores_gemma":[0.99985,0.00005146197,0.00002997082,0.00003561999,0.00002291211,0.00001009146],"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":[0.0003002955,0.00005197018,0.002739745,0.0004034226,0.00003509145,0.001032711,0.0008630916,0.01549578,0.7262906,0.2058472,0.0009041526,0.04603606],"study_design_scores_gemma":[0.00002270218,0.0006081404,0.01380809,0.00008006157,0.0001072858,0.002182665,0.001372718,0.09283637,0.76918,0.09162125,0.02810266,0.0000779902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9250599,0.000957909,0.04471808,0.0001227798,0.00004474704,0.00001700898,0.00009926127,0.0001289875,0.02885123],"genre_scores_gemma":[0.9919012,0.0003571268,0.004980909,0.00002532416,0.00001052929,0.00001151306,0.00009089878,0.00003969884,0.002582684],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003622619,"threshold_uncertainty_score":0.01211888,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01776708330540557,"score_gpt":0.2533892041102666,"score_spread":0.235622120804861,"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."}}