{"id":"W2198585249","doi":"10.1021/jp507729w","title":"Substrate, Molecular Structure, and Solvent Effects in 2D Self-Assembly via Hydrogen and Halogen Bonding","year":2014,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":67,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; Institut National de la Recherche Scientifique","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds de recherche du Québec – Nature et technologies; Alexander von Humboldt-Stiftung","keywords":"Halogen; Supramolecular chemistry; Crystallography; Molecule; Solvent; Monolayer; Hydrogen bond; Triazine; Halogen bond; Scanning tunneling microscope; Adsorption; Density functional theory; Substrate (aquarium); Chemistry; Materials science; Crystal structure; Physical chemistry; Computational chemistry; Nanotechnology; 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":[],"consensus_categories":[],"category_scores_codex":[0.000153596,0.0001475188,0.0002379448,0.00001224266,0.0000292807,0.00001944245,0.0001358737,0.00005968078,0.000002366832],"category_scores_gemma":[0.00002010786,0.0001105891,0.00005695086,0.00009396441,0.00003554636,0.00006502879,0.0000304785,0.0002762432,4.84696e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003256127,"about_ca_system_score_gemma":0.000007212231,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001576972,"about_ca_topic_score_gemma":2.891117e-7,"domain_scores_codex":[0.9994236,0.00002165824,0.0001683453,0.00008323987,0.0001408091,0.0001623366],"domain_scores_gemma":[0.9995603,0.0001289442,0.00006645567,0.0001267262,0.00001927084,0.00009828192],"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":[0.000009057441,0.00001859348,0.000230167,0.0002042553,0.00007796979,0.0000123071,0.0001890499,0.004041417,0.9949253,0.000004942739,0.000006339858,0.0002805778],"study_design_scores_gemma":[0.0003268747,0.00001846163,0.0005470535,0.00004099575,0.0001044749,0.00009947961,0.00002790514,0.00765165,0.9900029,0.001047157,0.00001600132,0.000117083],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989997,0.0005495115,0.0001246067,0.00002029562,0.00001219613,0.00002901299,0.000001278481,0.00001746088,0.0002459514],"genre_scores_gemma":[0.9997881,0.00001702999,0.00005712507,0.000008018013,0.0001074447,7.800624e-7,0.000001637353,0.00001548267,0.000004358816],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004922459,"threshold_uncertainty_score":0.4509691,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002164654361099414,"score_gpt":0.1820864022720854,"score_spread":0.179921747910986,"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."}}