{"id":"W2141359017","doi":"10.1021/om030072+","title":"Polymerization of Ethylene Catalyzed by a Nickel(+2) Anilinotropone-Based Catalyst:  DFT and Stochastic Studies on the Elementary Reactions and the Mechanism of Polyethylene Branching","year":2003,"lang":"en","type":"article","venue":"Organometallics","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":54,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Branching (polymer chemistry); Catalysis; Polyethylene; Ethylene; Nickel; Polymerization; Polymer chemistry; Mechanism (biology); Reaction mechanism; Olefin polymerization; Photochemistry; Organic chemistry; Polymer; Olefin fiber","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":[0.0001995879,0.0005624292,0.0007146519,0.0002703108,0.0003026016,0.0003753046,0.0007534063,0.0005273419,0.002197616],"category_scores_gemma":[0.0002960096,0.0002094237,0.0003956654,0.0002443873,0.0003377433,0.0003524811,0.0003343883,0.0004818508,0.0001785808],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000607314,"about_ca_system_score_gemma":0.0003644756,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002771291,"about_ca_topic_score_gemma":0.003449923,"domain_scores_codex":[0.9999346,0.00001310213,0.00000325753,0.0000072779,0.00002068176,0.00002114334],"domain_scores_gemma":[0.999869,0.00006204621,0.00001532148,0.00001635136,0.00002137416,0.00001589588],"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":[0.0006126365,0.0002932074,0.004322195,0.001239435,0.0001654299,0.001256786,0.000290168,0.8608263,0.08955698,0.02429008,0.000772343,0.01637437],"study_design_scores_gemma":[0.00005521404,0.0002448871,0.002085695,0.00002434498,0.00003835365,0.00006834664,0.00008602375,0.9815494,0.01373751,0.001464407,0.0006271048,0.00001866076],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9865136,0.0003842304,0.005364645,0.0001009401,0.0000186981,0.00002248879,0.0001597683,0.00006138629,0.007374185],"genre_scores_gemma":[0.9977501,0.0002370979,0.001329459,0.0000197136,0.000006173369,0.00002842012,0.000122281,0.00001007448,0.000496561],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002771291,"threshold_uncertainty_score":0.007351756,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01507026261108745,"score_gpt":0.2312157882266275,"score_spread":0.21614552561554,"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."}}