{"id":"W3201604654","doi":"10.33774/chemrxiv-2021-fdd6d","title":"Role of adatom defects in the adsorption of polyaromatic hydrocarbons on metallic substrates","year":2021,"lang":"en","type":"preprint","venue":"","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia; University of Victoria","funders":"Western Canada Research Grid; Compute Canada","keywords":"Coronene; Adsorption; Substrate (aquarium); Chemical physics; Density functional theory; Molecule; Flattening; Monomer; Chemistry; Metal; Helicene; Computational chemistry; Materials science; Physical chemistry; Organic chemistry; Polymer","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":[],"consensus_categories":[],"category_scores_codex":[0.0003183026,0.000250227,0.0005806698,0.00008396756,0.00001665233,0.00004687706,0.0005882045,0.0002145092,0.0007619556],"category_scores_gemma":[0.0001201865,0.0001662801,0.0002865237,0.0001006052,0.00006325115,0.0000338119,0.0001962175,0.0003215368,0.000004427367],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000315178,"about_ca_system_score_gemma":0.0001165595,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001033191,"about_ca_topic_score_gemma":0.0003354772,"domain_scores_codex":[0.9983941,0.0001042432,0.0006371282,0.0002890525,0.000409086,0.0001663628],"domain_scores_gemma":[0.9981131,0.0005354228,0.0003524205,0.000942592,0.00002828534,0.00002816027],"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":[0.00004557232,0.000645337,0.002802334,0.001595644,0.0002964835,0.000003381499,0.002531099,0.0001502998,0.9894372,0.0008297478,0.00003117181,0.001631745],"study_design_scores_gemma":[0.0001899932,0.00003875546,0.003875301,0.001567114,0.000152201,0.000006268685,0.004718495,0.002140298,0.97926,0.007786077,0.00002046659,0.000245028],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9406418,0.001564769,0.000001720388,0.00007454181,0.00003054205,0.0001150426,0.000008132516,0.00002144515,0.05754196],"genre_scores_gemma":[0.9993814,0.00009741799,0.0002486365,0.00002443704,0.00002639515,0.00005345352,0.0000468332,0.00002025177,0.0001011522],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05873958,"threshold_uncertainty_score":0.834288,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02055973408358132,"score_gpt":0.2286989300075814,"score_spread":0.2081391959240001,"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."}}