{"id":"W1995036081","doi":"10.1021/la0258392","title":"Molecular Modeling of Self-Assembled Alkynyl Thin Films:  Elucidation of Monolayer Structure from Small, Calculated Symmetry Units","year":2002,"lang":"en","type":"article","venue":"Langmuir","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Monolayer; Symmetry (geometry); Self-assembly; Surface (topology); Crystallography; Unit (ring theory); Chemistry; Space (punctuation); Materials science; Molecular model; Chemical physics; Geometry; Nanotechnology; Stereochemistry; Computer science; Mathematics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00003143387,0.0001687079,0.0002408434,0.0001401882,0.00003101806,0.00001207252,0.0001441818,0.0001941051,0.000153632],"category_scores_gemma":[0.00001788953,0.0001591592,0.00006417916,0.0004408689,0.000004474711,0.00006306462,0.00002660328,0.0001602619,0.000003634806],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002035572,"about_ca_system_score_gemma":0.000006983735,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001952103,"about_ca_topic_score_gemma":0.00001891247,"domain_scores_codex":[0.9991961,0.00003293639,0.0002897228,0.0001614491,0.000160085,0.0001597697],"domain_scores_gemma":[0.9994864,0.0000164739,0.00006291642,0.0002845323,0.0001078538,0.00004178509],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000005303012,0.00001435813,0.000158193,0.00006430152,0.0001756848,0.000006658054,0.000408931,0.2841501,0.7139958,0.0002717493,0.0002353814,0.0005135916],"study_design_scores_gemma":[0.0002740271,0.00001266532,0.0004621953,0.00002511907,0.00005939782,0.000002243241,0.00005076648,0.6426489,0.3561016,0.0001524425,0.00008387089,0.0001267738],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9858105,0.001278003,0.01182913,0.00001016561,0.000143602,0.0001187047,0.00005003628,0.0001614198,0.0005984528],"genre_scores_gemma":[0.9958449,0.00003893804,0.003951339,0.00002240722,0.00002511702,0.000002970136,0.00006904372,0.00003915152,0.0000061525],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3584988,"threshold_uncertainty_score":0.6490322,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01053701434431235,"score_gpt":0.1842495441046773,"score_spread":0.173712529760365,"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."}}