{"id":"W2392461800","doi":"","title":"Ab initio Studies on Keggin Structure Polyoxometalate α-[SiW_(12)O_(40)]~(4-)","year":2003,"lang":"en","type":"article","venue":"","topic":"Polyoxometalates: Synthesis and Applications","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"CAE (Canada)","funders":"","keywords":"Polyoxometalate; Excited state; Ab initio; Chemistry; Ab initio quantum chemistry methods; Tetrahedron; Ion; Molecule; Absorption (acoustics); Keggin structure; Crystallography; Absorption spectroscopy; Atomic physics; Molecular physics; Computational chemistry; Materials science; Catalysis; Physics","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":[0.0002092638,0.00044982,0.0007278582,0.0005376291,0.001176078,0.0005860201,0.001055115,0.0008308289,0.008560549],"category_scores_gemma":[0.0003905731,0.0004037407,0.0003167246,0.0006783986,0.0005449184,0.0006012549,0.0004727411,0.0006319025,0.0005738299],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007557432,"about_ca_system_score_gemma":0.0005645934,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004971443,"about_ca_topic_score_gemma":0.009030805,"domain_scores_codex":[0.9999005,0.00001529838,0.000002334574,0.000008012765,0.00003148058,0.00004231418],"domain_scores_gemma":[0.9998293,0.00007022704,0.00001966588,0.00002394602,0.00004018717,0.00001669337],"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":[0.003186953,0.001013123,0.0111249,0.005494888,0.000287757,0.002551688,0.001952667,0.4291255,0.190059,0.2831655,0.0181586,0.05387937],"study_design_scores_gemma":[0.001053095,0.0009766307,0.01268308,0.0002592505,0.0001467935,0.0003915486,0.001356067,0.8796253,0.06193669,0.03244932,0.009035197,0.00008697893],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.969831,0.000519397,0.003152251,0.0003009051,0.00004519096,0.00003804858,0.0003039754,0.0001768299,0.02563233],"genre_scores_gemma":[0.9942048,0.0003271211,0.002316649,0.00007025804,0.00001805345,0.00006915427,0.0002767042,0.00005848073,0.002658888],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008560549,"threshold_uncertainty_score":0.02863783,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04508604829461496,"score_gpt":0.2955812942730422,"score_spread":0.2504952459784272,"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."}}