{"id":"W3176631754","doi":"10.1038/s41467-021-23940-0","title":"Self-assembly of N-heterocyclic carbenes on Au(111)","year":2021,"lang":"en","type":"article","venue":"Nature Communications","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":108,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; Centro Nacional de Processamento de Alto Desempenho em São Paulo; Fundação de Amparo à Pesquisa do Estado de Minas Gerais; Conselho Nacional de Desenvolvimento Científico e Tecnológico","keywords":"Monolayer; Scanning tunneling microscope; Self-assembly; Ligand (biochemistry); Adsorption; Chemistry; Density functional theory; Thermal stability; Nanotechnology; Crystallography; Materials science; Chemical physics; Computational chemistry; Organic chemistry; Receptor","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":[0.00005875693,0.0001384171,0.000157621,0.0001309718,0.0001861017,0.0002580155,0.0002228562,0.0002332757,0.0008545683],"category_scores_gemma":[0.0001443141,0.0001149599,0.00009607053,0.00008210131,0.000154462,0.0001723874,0.0001505497,0.0001691272,0.0001973248],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002633028,"about_ca_system_score_gemma":0.0001462527,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001427911,"about_ca_topic_score_gemma":0.003198727,"domain_scores_codex":[0.999902,0.000007919977,0.000004038726,0.00002241045,0.00003487955,0.00002866305],"domain_scores_gemma":[0.9999342,0.00001551767,0.000009963239,0.000008090653,0.00001286273,0.00001935182],"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":[0.00004644632,0.00002957653,0.0002564162,0.00002975179,0.000005780792,0.00007102407,0.00004202715,0.0006967709,0.9967063,0.00028783,0.0001359735,0.00169208],"study_design_scores_gemma":[0.00001540851,0.0002032472,0.002357481,0.000004979407,0.000006665299,0.00005588067,0.0000513593,0.01084071,0.9848896,0.00008423145,0.001481812,0.00000861352],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965782,0.0002180612,0.0008285482,0.00002668427,0.00001904567,0.00001309429,0.00003797163,0.00004476004,0.002233669],"genre_scores_gemma":[0.9975533,0.00008427008,0.0009140283,0.00001769094,0.000004264151,0.000006704178,0.00004165787,0.000007119403,0.001370837],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001427911,"threshold_uncertainty_score":0.002858877,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01783943927278339,"score_gpt":0.3161863761601338,"score_spread":0.2983469368873505,"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."}}