{"id":"W2054735502","doi":"10.1021/om020820f","title":"Spectroscopic and Computational Assessment of the Rotational Barrier of a Ferrocenyl-Stabilized Cyclopentadienyl Cation:  Evidence for the First Hydroxyfulvalene Ligand","year":2003,"lang":"en","type":"article","venue":"Organometallics","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Chemistry; Protonation; Cyclopentadienyl complex; Trifluoroacetic acid; Ligand (biochemistry); Metal; Nuclear magnetic resonance spectroscopy; Ferrocene; Rotation (mathematics); Computational chemistry; Crystallography; Stereochemistry; Physical chemistry; Ion; Organic chemistry; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001663326,0.0002961414,0.0004946987,0.0002788534,0.0005150578,0.0005044605,0.0007019727,0.0006589015,0.003905842],"category_scores_gemma":[0.0003221981,0.0001981865,0.000230654,0.00018776,0.0003113001,0.0002985536,0.0002156389,0.0003323634,0.0001790229],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008479576,"about_ca_system_score_gemma":0.000813662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008325631,"about_ca_topic_score_gemma":0.01067343,"domain_scores_codex":[0.9999563,0.000007426645,0.000001360013,0.000006437201,0.00001063201,0.00001790659],"domain_scores_gemma":[0.9998792,0.00006214889,0.00001373589,0.000008170138,0.00001829294,0.0000184552],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001457362,0.0003180086,0.004677582,0.0004514534,0.00008047836,0.0007260279,0.0001718048,0.9052881,0.05699937,0.01957192,0.001402902,0.008855052],"study_design_scores_gemma":[0.0001892534,0.0002504692,0.001180554,0.0000111441,0.0000309576,0.00003823781,0.0001081242,0.9879677,0.008849951,0.000836299,0.0005240162,0.0000133816],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933586,0.00009668712,0.001411073,0.0001143498,0.000008510036,0.00001344218,0.000159879,0.00004722199,0.004790338],"genre_scores_gemma":[0.9981499,0.00005935923,0.001191165,0.00001823106,0.000002484272,0.00001861597,0.0001317522,0.00001077436,0.0004177609],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008325631,"threshold_uncertainty_score":0.01655436,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02844409105048275,"score_gpt":0.2979531788866873,"score_spread":0.2695090878362046,"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."}}