{"id":"W2019083241","doi":"10.1039/b906969k","title":"N-heterocyclic carbenes bearing two, one and no nitrogen atoms at the ylidene carbon: insight from theoretical calculations","year":2009,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","field":"Chemistry","cited_by":111,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Carbene; Nitrogen; Chemistry; Carbon fibers; Ligand (biochemistry); Metal; Alkyl; Medicinal chemistry; Computational chemistry; Crystallography; Polymer chemistry; Stereochemistry; Organic chemistry; Catalysis; Materials science; Receptor","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":[0.0002395756,0.0003889973,0.0008445535,0.0004093811,0.0006814253,0.0006835671,0.0008488937,0.0008342428,0.003833672],"category_scores_gemma":[0.0004848234,0.0002132807,0.0002885979,0.0003779723,0.0005417877,0.0005863992,0.0003055024,0.0004072288,0.0002605466],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009144721,"about_ca_system_score_gemma":0.0005953443,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005835641,"about_ca_topic_score_gemma":0.01078809,"domain_scores_codex":[0.9998995,0.00002002184,0.000003337979,0.00000892781,0.00003442662,0.00003378494],"domain_scores_gemma":[0.9997407,0.0001494152,0.00002546671,0.00002515902,0.00003745939,0.0000218005],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.001155526,0.0004191233,0.008393966,0.001330056,0.0001430025,0.00112862,0.0002704177,0.8548808,0.04025057,0.06788211,0.003624694,0.02052107],"study_design_scores_gemma":[0.0002148142,0.0002215029,0.001972463,0.00003513373,0.00004553481,0.00009481357,0.0002151551,0.980859,0.007316822,0.007774028,0.001229609,0.00002119424],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9751853,0.0007333983,0.004864287,0.0003667184,0.0000288411,0.00003680339,0.0003444112,0.0001069733,0.01833326],"genre_scores_gemma":[0.9977385,0.0001956624,0.001194094,0.00004758538,0.000007268789,0.00003649949,0.0001997961,0.0000168351,0.0005638289],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005835641,"threshold_uncertainty_score":0.01282495,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008670703039611743,"score_gpt":0.2263393048390725,"score_spread":0.2176686017994608,"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."}}