{"id":"W2077909643","doi":"10.1134/s0023158406020248","title":"Modeling ethylene and propylene homopolymerization by late-transition-metal catalysts: A combined quantum mechanical and stochastic approach","year":2006,"lang":"en","type":"article","venue":"Kinetics and Catalysis","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Polyolefin; Catalysis; Chemistry; Olefin fiber; Transition metal; Alkene; Ethylene; Polymer; Thermodynamics; Polymer chemistry; Photochemistry; Computational chemistry; Chemical physics; 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":[0.0003261555,0.0003895816,0.0006146301,0.0003183077,0.0004310961,0.0005354359,0.0009738253,0.00115886,0.001034294],"category_scores_gemma":[0.0005933305,0.0004178926,0.0005546147,0.000262564,0.0007096038,0.000693276,0.0003350971,0.0004416058,0.0001196837],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001124534,"about_ca_system_score_gemma":0.0009573353,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009257096,"about_ca_topic_score_gemma":0.005788929,"domain_scores_codex":[0.9998837,0.00003339265,0.000005160216,0.00001947219,0.00003267437,0.00002567242],"domain_scores_gemma":[0.9997367,0.0001563972,0.00003591683,0.00001973167,0.00002956044,0.00002169414],"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":[0.000008057482,0.00001168542,0.0001754947,0.00000843983,0.000005974528,0.00002340434,0.000005364636,0.9940148,0.00160042,0.003672264,0.00002149668,0.0004525763],"study_design_scores_gemma":[0.000002410145,0.000003391951,0.00004377507,4.158136e-7,0.000001354915,0.000002271724,0.000001115875,0.9991351,0.0002856304,0.00047695,0.00004616392,0.000001531438],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6285214,0.0004478816,0.3587161,0.0005111087,0.0000606369,0.00008092461,0.0002665429,0.0002804933,0.01111489],"genre_scores_gemma":[0.9835738,0.000209011,0.01354398,0.0000376075,0.00001876052,0.00008436346,0.00006841703,0.00003376587,0.002430233],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009257096,"threshold_uncertainty_score":0.01840645,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005919603708652562,"score_gpt":0.1838105586987855,"score_spread":0.177890954990133,"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."}}