{"id":"W2032108600","doi":"10.1021/om0202975","title":"Challenge of the Copolymerization of Olefins with N-Containing Polar Monomers. Systematic Screening of Nickel(II) and Palladium(II) Catalysts with Brookhart and Grubbs Ligands. 2. Chain-Propagation Barriers, Intrinsic Regioselectivity, and Curtin-Hammett Reactivity","year":2002,"lang":"en","type":"article","venue":"Organometallics","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Acrylonitrile; Migratory insertion; Polymer chemistry; Regioselectivity; Palladium; Monomer; Chain propagation; Copolymer; Catalysis; Oxidative addition; Density functional theory; Ethylene; Isomerization; Nickel; Insertion reaction; Photochemistry; Polymer; Computational chemistry; 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":[0.0001468075,0.0003689238,0.0002716737,0.0001492472,0.0002250309,0.0002786862,0.0002227285,0.0001913463,0.001609156],"category_scores_gemma":[0.0002746201,0.0001468601,0.000169052,0.0001267416,0.0001121029,0.0002731192,0.0002233212,0.0003381404,0.0002773812],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003342888,"about_ca_system_score_gemma":0.000349312,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009816987,"about_ca_topic_score_gemma":0.001879185,"domain_scores_codex":[0.9999497,0.000008499935,0.000001943161,0.000008338537,0.00001876897,0.00001282768],"domain_scores_gemma":[0.9999403,0.00002563624,0.00001262705,0.000006822482,0.000009263084,0.000005351392],"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":[0.0009760048,0.0004632793,0.007479742,0.00206769,0.000192424,0.0007750546,0.0001871434,0.2137224,0.7056105,0.01478137,0.001864202,0.05188018],"study_design_scores_gemma":[0.000143731,0.002441638,0.005917376,0.0000691349,0.0001314439,0.0003997687,0.0002591596,0.2262652,0.750617,0.003732192,0.009989178,0.00003414328],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9896506,0.0007706751,0.002097927,0.00007387608,0.00000970066,0.00002550563,0.0002436866,0.00007083053,0.007057317],"genre_scores_gemma":[0.9967091,0.000578612,0.001484285,0.00001978437,0.000003538226,0.00002963257,0.0002649347,0.00001725511,0.000892824],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001609156,"threshold_uncertainty_score":0.005383134,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01086032200419082,"score_gpt":0.1820875168440877,"score_spread":0.1712271948398969,"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."}}