{"id":"W4387568049","doi":"10.1021/acscatal.3c03625","title":"The Interplay of Backbone Stiffening and Active Pocket Design in Bis(phenolate-ether) Zr/Hf Propene Polymerization Catalysts","year":2023,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Dutch Polymer Institute; Ministry of Science and Higher Education of the Russian Federation","keywords":"Propene; Catalysis; Metallocene; Polymerization; Chemistry; Substituent; Polymer chemistry; Olefin polymerization; Post-metallocene catalyst; Regioselectivity; Olefin fiber; Ether; Photochemistry; 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":[],"consensus_categories":[],"category_scores_codex":[0.0005246319,0.0002652615,0.0005007552,0.000294946,0.0002034934,0.00008618823,0.0004655885,0.0001136889,0.0005743345],"category_scores_gemma":[0.0003430124,0.0002029357,0.0001260199,0.001646209,0.0001688838,0.0002220283,0.000320801,0.0001697384,0.00003572737],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007301528,"about_ca_system_score_gemma":0.00007154055,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004565401,"about_ca_topic_score_gemma":0.0001802301,"domain_scores_codex":[0.9981365,0.00009353884,0.000564612,0.000492402,0.0003365486,0.0003764406],"domain_scores_gemma":[0.9982233,0.0006023236,0.0003126506,0.0007063454,0.00007161898,0.00008375774],"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":[0.0001317663,0.0000895011,0.001692534,0.00007794749,0.0006011054,0.00001094015,0.002409093,0.00008428954,0.8433886,0.00006893563,0.00005917167,0.1513862],"study_design_scores_gemma":[0.00050197,0.00002883108,0.007680964,0.00009872794,0.0003920955,0.000008306031,0.003312123,0.00161365,0.9849957,0.0001872659,0.0007832354,0.0003971449],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970608,0.0009187353,0.0002859527,0.0003081295,0.00003355322,0.0001455825,0.00005261884,0.0000784471,0.001116231],"genre_scores_gemma":[0.9972031,0.0002430874,0.0001097465,0.00001467602,0.00003654205,0.00006774626,0.0002994545,0.0000489174,0.001976732],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.150989,"threshold_uncertainty_score":0.8275477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01521779407264346,"score_gpt":0.2444676324185269,"score_spread":0.2292498383458834,"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."}}