{"id":"W2063927865","doi":"10.1021/ic802233e","title":"Structural Study of Acidic Metallocavitands and Characterization of their Interactions with Lewis Bases","year":2009,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; University of Ottawa","funders":"","keywords":"Chemistry; Adduct; Steric effects; Thermogravimetric analysis; Lewis acids and bases; Hydrogen bond; Tantalum; Tetrahydrofuran; Crystallography; Density functional theory; Stereochemistry; Molecule; Computational chemistry; Organic chemistry","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":[0.00005678903,0.0001673089,0.0001821183,0.00008708629,0.0001388044,0.0001979998,0.0003979731,0.0001778701,0.001124144],"category_scores_gemma":[0.000147648,0.00007971845,0.0001131737,0.0001294615,0.0001909291,0.000129665,0.000149431,0.0002770411,0.0001825091],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002271923,"about_ca_system_score_gemma":0.000114684,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001250775,"about_ca_topic_score_gemma":0.001191916,"domain_scores_codex":[0.9999422,0.000006600756,0.000002846231,0.00001502602,0.00001986544,0.00001337235],"domain_scores_gemma":[0.9999415,0.000008544288,0.00001550432,0.000005729,0.00001215137,0.00001661877],"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":[0.0001135116,0.00001234705,0.0002848229,0.00004363534,0.000008154126,0.00003927879,0.00002866469,0.0001831499,0.9975646,0.0001549885,0.00003735772,0.00152947],"study_design_scores_gemma":[0.00001553153,0.0002256371,0.001915118,0.000002989787,0.00001431686,0.0002173195,0.00004238156,0.001044326,0.993844,0.00006371145,0.002607927,0.000006705481],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9968971,0.0004388342,0.001413596,0.00003115612,0.000005590536,0.00001153983,0.00009828839,0.00004100585,0.001062855],"genre_scores_gemma":[0.9970936,0.0001921422,0.001627363,0.0000171558,0.000003186016,0.000007637019,0.0001902744,0.00001539355,0.0008532549],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001250775,"threshold_uncertainty_score":0.003760636,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01067072402633198,"score_gpt":0.2130590109340426,"score_spread":0.2023882869077106,"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."}}