{"id":"W2143925214","doi":"10.1039/c2cp41407d","title":"Self-assembly of a catechol-based macrocycle at the liquid–solid interface: experiments and molecular dynamics simulations","year":2012,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Desorption; Catechol; Molecular dynamics; Solvent; Molecule; Self-assembly; Chemistry; X-ray photoelectron spectroscopy; Adsorption; Chemical physics; Crystallography; Scanning tunneling microscope; Materials science; Physical chemistry; Chemical engineering; Computational chemistry; Nanotechnology; Organic chemistry","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":[0.0001589177,0.0002719373,0.0003712734,0.0003028435,0.0003334234,0.0004603963,0.0004665689,0.0004930061,0.001685506],"category_scores_gemma":[0.0003051627,0.0002131396,0.0003045297,0.0002151664,0.0003922356,0.0004388964,0.0002167835,0.0003654459,0.0001193914],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007033193,"about_ca_system_score_gemma":0.0004844922,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005278111,"about_ca_topic_score_gemma":0.00361866,"domain_scores_codex":[0.9999439,0.00000597492,0.000002662144,0.00001121678,0.00001847358,0.00001790113],"domain_scores_gemma":[0.9998324,0.0000667768,0.00002164232,0.00001589338,0.00002765029,0.00003551001],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004421649,0.0004985861,0.005737457,0.0002260019,0.0001086493,0.0004726216,0.0003075414,0.8272181,0.1515598,0.006771643,0.0005045545,0.006153036],"study_design_scores_gemma":[0.00004152491,0.00008598773,0.0008991452,0.000005065176,0.000008817722,0.00001137686,0.00002363488,0.98742,0.01093174,0.000320481,0.0002420731,0.0000101099],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996439,0.00007194211,0.001476475,0.00004309664,0.000005945002,0.00001429281,0.000118491,0.00004360244,0.00178727],"genre_scores_gemma":[0.996805,0.00009073813,0.002365621,0.00001702764,0.000003516796,0.00003174064,0.0001825428,0.00001721446,0.0004865754],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005278111,"threshold_uncertainty_score":0.01049477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006415275443906265,"score_gpt":0.24920919092695,"score_spread":0.2427939154830438,"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."}}