{"id":"W2276194544","doi":"10.1021/acs.joc.6b00241","title":"A Au(I)-Precatalyst with a Cyclopropenium Counterion: An Unusual Ion Pair","year":2016,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Catalytic Alkyne Reactions","field":"Chemistry","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"Brock University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Counterion; Hydroamination; Chemistry; Intermolecular force; Alkyne; Density functional theory; Ion; Non-covalent interactions; Crystal structure; Computational chemistry; Crystallography; Stereochemistry; Molecule; Organic chemistry; Intramolecular force; Hydrogen bond; Catalysis","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00004232577,0.0002152125,0.000215024,0.0001057034,0.0001903795,0.0002322763,0.0004131513,0.0003084207,0.0008365054],"category_scores_gemma":[0.0001696958,0.000146488,0.000126189,0.0001188841,0.0002519906,0.0001688249,0.0002178041,0.000457607,0.0003366293],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002645229,"about_ca_system_score_gemma":0.0002671749,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00083057,"about_ca_topic_score_gemma":0.001389487,"domain_scores_codex":[0.9999437,0.000002699011,0.000004304903,0.00001540099,0.00002269458,0.00001125366],"domain_scores_gemma":[0.9999425,0.000008723228,0.00001506974,0.000008494266,0.00001112818,0.00001413507],"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":[0.00002407792,0.00000743194,0.00008203598,0.00007406641,0.00000452384,0.0001674886,0.00002566007,0.0001265051,0.9966708,0.0002919962,0.0001261966,0.002399154],"study_design_scores_gemma":[0.000008129935,0.0001156983,0.0003665859,0.000003202523,0.000007209754,0.0002816812,0.000009382125,0.0004125581,0.9956434,0.00003855724,0.003109875,0.000003780461],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9829161,0.001487728,0.007217626,0.0002747423,0.0001229898,0.0001007807,0.0002741534,0.0006316804,0.006974103],"genre_scores_gemma":[0.983695,0.0005754473,0.01167036,0.00005482276,0.00001740638,0.00003612356,0.0001742632,0.00007455474,0.003702003],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008365054,"threshold_uncertainty_score":0.002798319,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008437320237588619,"score_gpt":0.2149958626631747,"score_spread":0.2065585424255861,"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."}}