{"id":"W2262065025","doi":"10.1039/c5qo00402k","title":"DFT investigation of the ring contraction reaction of (η<sup>4</sup>-1,2-disilacyclohexadiene)iron tricarbonyls: a crucial intramolecular Si–Si bond activation","year":2016,"lang":"en","type":"article","venue":"Organic Chemistry Frontiers","topic":"Synthesis and characterization of novel inorganic/organometallic compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Alberta Hospital Edmonton; University of Alberta","funders":"National Natural Science Foundation of China","keywords":"Intramolecular force; Chemistry; Ring (chemistry); Contraction (grammar); Medicinal chemistry; Stereochemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001074623,0.0004319439,0.0004553856,0.000182144,0.0003611159,0.0002924262,0.0005202011,0.0005357167,0.00626722],"category_scores_gemma":[0.0001824348,0.0001630534,0.0002360379,0.0001354647,0.0002912934,0.0003310911,0.0002458559,0.0005129094,0.0003329599],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004713738,"about_ca_system_score_gemma":0.0003956751,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003635987,"about_ca_topic_score_gemma":0.006851106,"domain_scores_codex":[0.9999416,0.000006922287,0.000001481498,0.000007397471,0.00001729813,0.00002536555],"domain_scores_gemma":[0.9999274,0.00003124653,0.00001027087,0.000006806069,0.00001244143,0.00001184181],"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":[0.00223961,0.0008216967,0.01078207,0.003835859,0.0004059793,0.003441003,0.0006772933,0.4468943,0.3477252,0.1245134,0.0166487,0.04201487],"study_design_scores_gemma":[0.0001916433,0.000781171,0.007235939,0.00006799305,0.00009583026,0.0002161425,0.0004278573,0.9313043,0.04755772,0.0063049,0.005773221,0.00004322425],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9705171,0.001096917,0.003278942,0.0003697072,0.00008542626,0.00002677015,0.0004781336,0.0000962006,0.02405078],"genre_scores_gemma":[0.9977784,0.0002615083,0.0007054158,0.00004499136,0.00000889058,0.00001999145,0.0002455078,0.00001325743,0.0009220976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00626722,"threshold_uncertainty_score":0.02096593,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007385207676332388,"score_gpt":0.1844100688587026,"score_spread":0.1770248611823702,"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."}}