{"id":"W1985607133","doi":"10.1021/om7008217","title":"Probing the Mechanism of Carbon−Hydrogen Bond Activation by Photochemically Generated Hydridotris(pyrazolyl)borato Carbonyl Rhodium Complexes: New Experimental and Theoretical Investigations","year":2007,"lang":"en","type":"article","venue":"Organometallics","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Engineering and Physical Sciences Research Council; McMaster University","keywords":"Chemistry; Cyclohexane; Photochemistry; Heptane; Photodissociation; Rhodium; Alkane; Agostic interaction; Density functional theory; Catalysis; Computational chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.000193016,0.0003066294,0.0003274443,0.00003838292,0.0001920097,0.00004020311,0.0002714045,0.0001838193,0.0001838706],"category_scores_gemma":[0.0000662048,0.000258436,0.00006942187,0.0003273945,0.0004781844,0.0000716187,0.00008709108,0.0003090934,0.000001079223],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009638842,"about_ca_system_score_gemma":0.0001295885,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007963133,"about_ca_topic_score_gemma":0.000004751424,"domain_scores_codex":[0.9984294,0.00001506272,0.000455677,0.0003884313,0.0003049723,0.0004065115],"domain_scores_gemma":[0.9991525,0.0001143076,0.000130187,0.000327572,0.00007759148,0.00019785],"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":[0.00005021182,0.0001065734,0.00006681676,0.00004706706,0.0001441873,0.000001245587,0.001538418,0.000001623938,0.9906217,0.007296275,0.0001012058,0.00002471694],"study_design_scores_gemma":[0.0005844137,0.00003759564,0.000005498814,0.00002649679,0.00007975903,0.00001125265,0.0007674162,0.0002264293,0.995161,0.002626775,0.0002021307,0.0002712203],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944423,0.0005391825,0.0005017838,0.0002915226,0.00001812915,0.0002671512,0.00003302798,0.00007607289,0.003830836],"genre_scores_gemma":[0.9990873,0.00003588614,0.0003005543,0.0001286605,0.00009608147,0.00004645168,0.0001179216,0.00004295181,0.0001442357],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0046695,"threshold_uncertainty_score":0.9999868,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01117940411565472,"score_gpt":0.2285480146744359,"score_spread":0.2173686105587812,"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."}}