{"id":"W2148071973","doi":"10.1139/v08-182","title":"Structure and stability of aquotetrafluorouranyl(VI) in the solid state — Density functional study of [UO<sub>2</sub>F<sub>4</sub>(H<sub>2</sub>O)][NMe<sub>4</sub>]<sub>2</sub>·2H<sub>2</sub>O<sup>,</sup>","year":2009,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Uranyl; Aqueous solution; Crystallography; Molecular dynamics; Density functional theory; Molecule; Ion; Counterion; Ligand (biochemistry); Crystal structure; Coordination number; Crystal (programming language); Physical chemistry; Computational chemistry; Inorganic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002885011,0.0003422522,0.0005517198,0.0003873062,0.0008247049,0.0006362643,0.001244533,0.00097495,0.003382774],"category_scores_gemma":[0.0004408487,0.0002940003,0.0003302991,0.0003227871,0.001041573,0.0004218413,0.000442605,0.0003841377,0.0001852046],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00155943,"about_ca_system_score_gemma":0.0008026632,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01319673,"about_ca_topic_score_gemma":0.007721328,"domain_scores_codex":[0.9999032,0.00002256446,0.000002871398,0.00001130724,0.00002757761,0.0000324725],"domain_scores_gemma":[0.9998533,0.00005509268,0.00001819076,0.00001234778,0.00003562693,0.00002545375],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001164466,0.0003184302,0.01033736,0.000676669,0.0001776486,0.00163752,0.0006586057,0.8285605,0.08340345,0.05865153,0.003208106,0.01120573],"study_design_scores_gemma":[0.0001356867,0.0002353584,0.003208518,0.00003380105,0.00003305144,0.0001276103,0.0003302784,0.9781425,0.01272311,0.004036818,0.0009616616,0.00003158929],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941696,0.0002119548,0.00263004,0.0002057795,0.000008922932,0.000008608607,0.0001402696,0.00005212064,0.002572814],"genre_scores_gemma":[0.9980234,0.00009754852,0.001009572,0.0000294188,0.000003200842,0.00001688796,0.0002837345,0.00001448865,0.0005216745],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01319673,"threshold_uncertainty_score":0.02623987,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01098092297718467,"score_gpt":0.2133084520074885,"score_spread":0.2023275290303038,"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."}}