{"id":"W2178382407","doi":"10.1039/c5dt04154f","title":"Synthesis and electronic properties of polycyclic aromatic hydrocarbons doped with phosphorus and sulfur","year":2015,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Synthesis and characterization of novel inorganic/organometallic compounds","field":"Chemistry","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Région Bretagne; Institute of Circulatory and Respiratory Health; Centre National de la Recherche Scientifique; Université de Rennes 1; Agence Nationale de la Recherche","keywords":"Phosphole; Thiophene; Sulfur; Doping; Density functional theory; Chemistry; Ring (chemistry); Aromaticity; Computational chemistry; Phosphorus; Electrochemistry; Heteroatom; Organic chemistry; Molecule; Physical chemistry; Materials science; Optoelectronics; Electrode","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009474526,0.0001525522,0.0001244489,0.0001869914,0.000215625,0.0002443337,0.0001364946,0.0002244247,0.001221334],"category_scores_gemma":[0.0002216796,0.00006856663,0.00009175874,0.0002012151,0.0002092864,0.0002751574,0.0001450039,0.0001547769,0.0002306796],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002313187,"about_ca_system_score_gemma":0.0001157671,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000522297,"about_ca_topic_score_gemma":0.00126767,"domain_scores_codex":[0.9999214,0.000007693215,0.000005332361,0.00001429774,0.00003433161,0.00001685636],"domain_scores_gemma":[0.9998775,0.000038838,0.00002495044,0.00001244767,0.00003358307,0.00001273178],"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":[0.00009446801,0.00001917672,0.0003685161,0.00007079478,0.000009230989,0.0000554355,0.00003230365,0.0006154912,0.9953918,0.0004933158,0.0000444577,0.002804938],"study_design_scores_gemma":[0.000004517951,0.0001072533,0.000752158,0.000003106318,0.000007040971,0.00002924701,0.00001671925,0.001311709,0.9969447,0.00004525997,0.0007749686,0.000003377702],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969199,0.0003647319,0.0009414633,0.00004247391,0.00001397335,0.000005621372,0.00009061574,0.00002169645,0.0015996],"genre_scores_gemma":[0.9974583,0.0002541811,0.001199901,0.000009491186,0.000004085726,0.000005595945,0.00009709913,0.00001016865,0.0009612081],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001221334,"threshold_uncertainty_score":0.004085779,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01635412625476053,"score_gpt":0.1984678094238304,"score_spread":0.1821136831690699,"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."}}