{"id":"W1999393515","doi":"10.1002/anie.201500453","title":"Ammonia Activation by a Nickel NCN‐Pincer Complex featuring a Non‐Innocent N‐Heterocyclic Carbene: Ammine and Amido Complexes in Equilibrium","year":2015,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","field":"Chemistry","cited_by":77,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Jyväskylän Yliopisto; National Science Foundation","keywords":"Carbene; Chemistry; Deprotonation; Pincer movement; Ligand (biochemistry); Nickel; Pincer ligand; Medicinal chemistry; Solvent; Photochemistry; Polymer chemistry; Catalysis; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001134698,0.0003598251,0.0003379085,0.00009507038,0.00005971614,0.0001238777,0.000370892,0.000260405,0.0005528555],"category_scores_gemma":[0.0001252258,0.000396606,0.00007741779,0.0001745479,0.0001486848,0.0004854036,0.0002816682,0.0003881207,0.00001572187],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008718577,"about_ca_system_score_gemma":0.00005480096,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003713413,"about_ca_topic_score_gemma":0.00004299293,"domain_scores_codex":[0.9978677,0.00001161933,0.0005294295,0.0006071718,0.0006009948,0.0003830892],"domain_scores_gemma":[0.9989336,0.00007834005,0.0002646299,0.0003111971,0.0002012082,0.0002110297],"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":[0.0001301642,0.0001567529,0.002590692,0.00008793204,0.00006685625,0.000008095112,0.0002578551,0.000007661442,0.9725593,0.00001080125,0.02356005,0.0005637949],"study_design_scores_gemma":[0.002562708,0.00002147949,0.001263809,0.0001874083,0.00002349381,0.0000650572,0.0003663512,0.0003747892,0.9798259,0.0001800939,0.01473045,0.0003984988],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9856578,0.000204731,0.0002774772,0.001058597,0.0004865702,0.0001110115,0.0002266656,0.000117454,0.01185976],"genre_scores_gemma":[0.9945588,0.000106873,0.000182618,0.0002699803,0.001374307,0.0000509586,0.002444711,0.00005475875,0.0009569883],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01090277,"threshold_uncertainty_score":0.9998486,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02075662928920804,"score_gpt":0.2617328511364733,"score_spread":0.2409762218472652,"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."}}