{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003920012,0.0003689753,0.001059763,0.0002143919,0.0003115295,0.00003390933,0.0002138861,0.0001291865,0.0001185178],"category_scores_gemma":[0.000245335,0.0002636174,0.00008642107,0.0007458839,0.0004693435,0.0002903912,0.0002774996,0.0001973374,1.724114e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004518881,"about_ca_system_score_gemma":0.00005430754,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001642966,"about_ca_topic_score_gemma":0.0002283403,"domain_scores_codex":[0.9980649,0.00007591106,0.0006420483,0.0005049271,0.0004360064,0.0002761845],"domain_scores_gemma":[0.9977322,0.0001991906,0.001126812,0.0006361857,0.0001580956,0.0001475013],"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":[0.000367295,0.0007110311,0.1039414,0.02086617,0.002996502,0.000007652748,0.01579837,0.00002203821,0.8305945,0.002079233,0.000004804435,0.02261095],"study_design_scores_gemma":[0.002911513,0.001150642,0.02293353,0.004428704,0.002731323,0.0001296711,0.004889949,0.002292985,0.9572544,0.00008408749,0.0001129225,0.001080339],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944883,0.003985572,0.0002645296,0.0002146792,0.00001042577,0.0003372803,0.00004937694,0.00002615426,0.0006236561],"genre_scores_gemma":[0.9990078,0.0005120953,0.0001468198,0.00001075612,0.0000236169,0.0000198077,0.00001856349,0.00005639646,0.0002041294],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1266598,"threshold_uncertainty_score":0.9999816,"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."}}