{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001278098,0.0003224957,0.0005090957,0.0001204456,0.0002067013,0.0001460802,0.0001210961,0.0001612899,0.0001662177],"category_scores_gemma":[0.00002919035,0.0003062745,0.00009588315,0.0002901925,0.0001471483,0.0001127274,0.0001101603,0.0001411301,0.000001413577],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002345373,"about_ca_system_score_gemma":0.00001383479,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008009137,"about_ca_topic_score_gemma":0.0000398443,"domain_scores_codex":[0.9982952,0.00002377832,0.0004504359,0.0006495818,0.000286671,0.0002943471],"domain_scores_gemma":[0.9992803,0.00005634911,0.0001031959,0.0003453016,0.00006000321,0.0001548352],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00005540783,0.0005722818,0.00002216216,0.0002626689,0.000345191,0.000003744516,0.0003762089,0.001071667,0.9905975,0.001423507,0.00002073744,0.005248886],"study_design_scores_gemma":[0.001395555,0.0001168282,0.0001215518,0.00006744901,0.002137568,0.00005543485,0.000728936,0.9304566,0.0616084,0.00215272,0.0001320686,0.00102692],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9419066,0.004025035,0.05309869,0.0002545619,0.0000148793,0.0001128169,0.000242677,0.0000712265,0.0002735252],"genre_scores_gemma":[0.9973909,0.0002744285,0.0003780919,0.00002138519,0.00006263448,0.00004005591,0.001505771,0.00004522257,0.0002815535],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9293849,"threshold_uncertainty_score":0.999939,"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."}}