{"id":"W2006388392","doi":"10.1021/om061058a","title":"Termination and Transfer Reactions in the Group Transfer Polymerizations of Acrylates Catalyzed by Mononuclear Early d-Block and f-Block Metallocenes:  A DFT Study","year":2007,"lang":"en","type":"article","venue":"Organometallics","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Steric effects; Catalysis; Acrylate; Polymer chemistry; Polymerization; Monomer; Block (permutation group theory); Tacticity; Molar mass distribution; Organic chemistry; Polymer","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":[0.0005776634,0.0003070784,0.0004749587,0.0002604779,0.0001984736,0.00009598508,0.0003019192,0.0001364278,0.0007553458],"category_scores_gemma":[0.00005104245,0.0002536374,0.0001155268,0.0009041487,0.00019139,0.0002694544,0.00004596972,0.0002155952,0.000003247469],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003144594,"about_ca_system_score_gemma":0.00001941158,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004055555,"about_ca_topic_score_gemma":0.0003773108,"domain_scores_codex":[0.9980906,0.00006441388,0.000697003,0.0004706622,0.0003565849,0.0003207013],"domain_scores_gemma":[0.9990153,0.0002906077,0.00006961734,0.0004640648,0.0000520113,0.0001084557],"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":[0.00005365858,0.001522101,0.007066947,0.0001201762,0.0003547112,0.000009652957,0.008333028,0.000002128454,0.9737409,0.0003850509,0.000002398084,0.008409203],"study_design_scores_gemma":[0.007924888,0.0007173001,0.4432405,0.0001562713,0.00412762,0.0002429117,0.05761751,0.000349694,0.4695636,0.0003315427,0.01302971,0.002698484],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977189,0.000652321,0.0002562038,0.000160865,0.00001750715,0.0002991204,0.00008840574,0.00004160756,0.0007650769],"genre_scores_gemma":[0.9991373,0.0002491326,0.00006425059,0.00002236648,0.00002973689,0.00002916164,0.00005569732,0.00005430305,0.0003580641],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5041774,"threshold_uncertainty_score":0.9999916,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009266576266836257,"score_gpt":0.2188923862008333,"score_spread":0.209625809933997,"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."}}