{"id":"W2130488296","doi":"10.1139/v09-105","title":"Carbon–hydrogen vs. carbon–halogen oxidative addition of chlorobenzene to a cationic iridium(I) system — A density functional theory study","year":2009,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Chlorobenzene; Iridium; Halogen; Carbon fibers; Density functional theory; Cationic polymerization; Hydrogen; Oxidative addition; Oxidative phosphorylation; Photochemistry; Inorganic chemistry; Computational chemistry; Organic chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002761716,0.0004159347,0.0004955414,0.0003645527,0.0006236676,0.0004418298,0.0008274536,0.0004475251,0.004291644],"category_scores_gemma":[0.0003687413,0.0002115089,0.0004028278,0.0002886684,0.0005969316,0.0003878662,0.0003600123,0.0004975714,0.000236222],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009161627,"about_ca_system_score_gemma":0.0005744789,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008438753,"about_ca_topic_score_gemma":0.008512896,"domain_scores_codex":[0.9998602,0.00001458379,0.00000501303,0.00001744107,0.00004580195,0.00005699421],"domain_scores_gemma":[0.9998338,0.00008871384,0.00002450815,0.000008755365,0.00002639457,0.0000178072],"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":[0.004334877,0.001049121,0.006508017,0.002533067,0.0003686645,0.002950519,0.000929003,0.2735276,0.6324087,0.04714731,0.001917056,0.02632611],"study_design_scores_gemma":[0.0005207806,0.003825538,0.005462299,0.00008539849,0.0002205696,0.0003133354,0.0006836079,0.6583973,0.3254202,0.003020348,0.001954307,0.00009632298],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942434,0.0003481932,0.0008197596,0.00007671531,0.00001006354,0.00001840125,0.00005795803,0.00002269442,0.004402803],"genre_scores_gemma":[0.9990796,0.0002080134,0.0003233863,0.00001876882,0.000003655125,0.000009087439,0.00005236077,0.000003215949,0.0003019581],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008438753,"threshold_uncertainty_score":0.0167793,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007543371950269295,"score_gpt":0.1973700728372896,"score_spread":0.1898267008870203,"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."}}