{"id":"W4413582980","doi":"10.1021/acsnano.5c06139","title":"Mechanisms of N-Heterocyclic Carbene Complex Lattice Formation","year":2025,"lang":"en","type":"article","venue":"ACS Nano","topic":"N-Heterocyclic Carbenes in Organic and Inorganic Chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Centro Nacional de Processamento de Alto Desempenho em São Paulo; Social Sciences and Humanities Research Council of Canada; Fundação de Amparo à Pesquisa do Estado de Minas Gerais; Canada Foundation for Innovation; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Natural Sciences and Engineering Research Council of Canada; Queen's University; Canada Research Chairs","keywords":"Scanning tunneling microscope; Overlayer; Steric effects; Materials science; Crystallography; Ab initio quantum chemistry methods; Carbene; Ab initio; Chemical physics; Metal; Self-assembly; Chemistry; Nanotechnology; Stereochemistry; Catalysis; Physical chemistry; Molecule; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009449712,0.0002312807,0.0001632905,0.0001988786,0.0004097069,0.0005413515,0.0006470692,0.0004120875,0.003710685],"category_scores_gemma":[0.0003320125,0.0001932349,0.0001648368,0.00007178664,0.0003606347,0.0006566506,0.0003670781,0.0004058403,0.0005543877],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007166345,"about_ca_system_score_gemma":0.0002359483,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001186224,"about_ca_topic_score_gemma":0.001387934,"domain_scores_codex":[0.9998645,0.000007617291,0.000004522212,0.00003189224,0.00005338303,0.00003813265],"domain_scores_gemma":[0.999874,0.00003948181,0.00002540214,0.00001735621,0.0000158623,0.00002793537],"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":[0.0002031511,0.0001294349,0.00201727,0.0002805241,0.00003051271,0.0007133396,0.0002915079,0.003854139,0.9555978,0.02304587,0.000968953,0.01286761],"study_design_scores_gemma":[0.00005583745,0.0001895104,0.0033207,0.00001605691,0.00001236499,0.000660984,0.0001575062,0.01900696,0.9684778,0.002258731,0.005815317,0.00002821507],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.97634,0.0009785532,0.005506358,0.0002167601,0.00005610724,0.00008037282,0.0001865378,0.0001949248,0.0164404],"genre_scores_gemma":[0.9964371,0.0001953677,0.0009799394,0.00002203606,0.000005509439,0.00002390133,0.00007666118,0.00001055564,0.002249039],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003710685,"threshold_uncertainty_score":0.0124135,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01240194430502761,"score_gpt":0.2477952392067582,"score_spread":0.2353932949017306,"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."}}