{"id":"W2081906459","doi":"10.1021/jp035363a","title":"Electronic, Structural, and Optical Properties of Conjugated Polymers Based on Carbazole, Fluorene, and Borafluorene","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":73,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Regroupement Québécois sur les Matériaux de Pointe","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Carbazole; HOMO/LUMO; Fluorene; Materials science; Dihedral angle; Band gap; Polymer; Density functional theory; Conjugated system; Phenylene; Chemical physics; Computational chemistry; Molecule; Molecular physics; Chemistry; Photochemistry; Organic chemistry; Optoelectronics","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":[0.00004347318,0.0001103865,0.0001717491,0.0000167403,0.00003433135,0.00001098153,0.00007161051,0.00003712253,0.000006358464],"category_scores_gemma":[0.00001604943,0.00006569159,0.00004316918,0.00006711022,0.0001431737,0.00003073694,0.00001114504,0.0002322972,1.008274e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002452458,"about_ca_system_score_gemma":0.00003704303,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005449672,"about_ca_topic_score_gemma":3.501115e-7,"domain_scores_codex":[0.9995246,0.000009459539,0.0001448201,0.00005184372,0.0001424538,0.0001268105],"domain_scores_gemma":[0.9997362,0.00002099705,0.00004902898,0.00009348211,0.00003869513,0.0000615456],"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":[0.00009158278,0.00001170399,0.00000392242,0.00005660732,0.00004596183,0.000001905775,0.0001288059,0.01628783,0.9827631,0.00006693514,0.000008209703,0.0005334368],"study_design_scores_gemma":[0.0005786464,0.0001269993,0.0002023727,0.00005391865,0.00006296013,0.00004288659,0.00007545217,0.006858134,0.9916893,0.0002176029,0.00001572577,0.00007604195],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986492,0.0009947777,0.0000720278,0.00007928569,0.00001755799,0.0000311521,0.000002198697,0.000009512022,0.0001443363],"genre_scores_gemma":[0.9998187,0.00003914498,0.0000378135,0.00001368433,0.00007472979,6.307264e-7,6.856358e-7,0.00001151661,0.000003025639],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009429698,"threshold_uncertainty_score":0.2678825,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003277243974036385,"score_gpt":0.1793834766344051,"score_spread":0.1761062326603687,"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."}}