{"id":"W2063293955","doi":"10.1021/ja0269845","title":"Mechanism of the Addition of Nonenolizable Aldehydes and Ketones to (Di)metallenes (R<sub>2</sub>XYR<sub>2</sub>, X = Si, Ge Y = C, Si, Ge):  A Density Functional and Multiconfigurational Perturbation Theory Study","year":2002,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":46,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Diradical; Chemistry; Singlet state; Density functional theory; Formaldehyde; Reaction mechanism; Germanium; Reactivity (psychology); Photochemistry; Computational chemistry; Stereochemistry; Silicon; Crystallography; Medicinal chemistry; Catalysis; Excited state; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004258215,0.0002406044,0.0005860503,0.00003840762,0.0002191391,0.00003684667,0.0003052322,0.00008432004,0.0003817507],"category_scores_gemma":[0.0002985292,0.0001574951,0.0005241044,0.0003119307,0.000475737,0.0001384202,0.0002317817,0.0002913572,0.000001474017],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001050117,"about_ca_system_score_gemma":0.00004380106,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001317164,"about_ca_topic_score_gemma":0.000004469385,"domain_scores_codex":[0.9980712,0.0001226206,0.0006369749,0.0002740914,0.0006936052,0.0002015284],"domain_scores_gemma":[0.9976872,0.0005718014,0.001012297,0.0003262884,0.000285309,0.000117079],"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":[0.000087044,0.0004937405,0.0007097023,0.00004293295,0.000529999,5.394926e-7,0.001050231,0.00004081203,0.9919299,0.0001111444,0.0002170159,0.004786971],"study_design_scores_gemma":[0.0005398528,0.00008001617,0.0104543,0.00006055511,0.0004576724,0.00004609707,0.002584762,0.001197667,0.9829863,0.001367562,0.00004070177,0.0001844933],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998472,0.0002419556,0.0003008389,0.0006579523,0.00005283123,0.0001343125,0.00006317155,0.000009904553,0.00006704529],"genre_scores_gemma":[0.9991501,0.0001954043,0.0002047199,0.000182426,0.0001702862,0.000009602857,0.000005522026,0.00002258093,0.00005936275],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009744597,"threshold_uncertainty_score":0.6422464,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01284857775692854,"score_gpt":0.2017134269124911,"score_spread":0.1888648491555625,"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."}}