{"id":"W2519661973","doi":"10.1016/j.carbon.2016.09.014","title":"Molecular dynamics on the self-assembly of mesogenic graphene precursors","year":2016,"lang":"en","type":"article","venue":"Carbon","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Consejo Nacional de Ciencia y Tecnología","keywords":"Mesogen; Supramolecular chemistry; Materials science; Lyotropic; Molecular dynamics; Hydrogen bond; Liquid crystal; Self-assembly; Molecule; Chemical physics; Lyotropic liquid crystal; Nanotechnology; Chemistry; Computational chemistry; Organic chemistry; Liquid crystalline","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":[0.00005124725,0.0000969253,0.0001208178,0.000013848,0.00003109319,0.000003979248,0.0001222595,0.00002114839,0.00002285996],"category_scores_gemma":[0.000006212921,0.00004964085,0.0001005883,0.00008585388,0.00004452665,0.00001122539,0.00003300359,0.00005292485,0.000003535973],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003194645,"about_ca_system_score_gemma":0.0000177017,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003044262,"about_ca_topic_score_gemma":0.000001360382,"domain_scores_codex":[0.9994901,0.00002215501,0.0001042363,0.000128849,0.0001029424,0.0001517567],"domain_scores_gemma":[0.9995986,0.0001012629,0.00005762684,0.00019234,0.00002404908,0.00002610349],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00003204097,0.0001452594,0.01255552,0.00000794109,0.0003104977,8.462138e-7,0.0001813044,0.000003519113,0.4208415,0.5638441,0.0001096171,0.001967889],"study_design_scores_gemma":[0.0002029892,0.00006566662,0.0007154596,0.0000289721,0.00003919495,7.67111e-8,0.00007952394,0.0002026673,0.9842659,0.01422003,0.00008494822,0.00009458229],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9798427,0.00007548205,0.0001282479,0.0005436907,0.00005886314,0.00008467174,0.00001195526,0.00001940594,0.01923498],"genre_scores_gemma":[0.999832,0.00000676703,0.00001915672,0.00002553155,0.00004733427,0.00001908159,0.00000148502,0.000009648331,0.00003903721],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5634245,"threshold_uncertainty_score":0.2024295,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005564335786982712,"score_gpt":0.2186081111984344,"score_spread":0.2130437754114517,"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."}}