{"id":"W2015187886","doi":"10.1063/1.1532170","title":"Infrared and Raman features of a series of α,ω-bis(arylthio)oligothiophenes as molecular wires. A π-electron delocalization efficiency study","year":2003,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"","keywords":"Moiety; Delocalized electron; Conjugated system; Raman spectroscopy; Alkyl; Chemistry; Oligomer; Density functional theory; Crystallography; Photochemistry; Materials science; Stereochemistry; Computational chemistry; Polymer chemistry; Polymer; Organic chemistry; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007694025,0.0001993391,0.00008093036,0.0001567009,0.00008750843,0.0001104361,0.00012488,0.000186148,0.0005563383],"category_scores_gemma":[0.0001320065,0.0001041002,0.00007332578,0.0001259529,0.000154086,0.0001297466,0.00007955844,0.0001273319,0.0001020263],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007760949,"about_ca_system_score_gemma":0.00004297481,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002903319,"about_ca_topic_score_gemma":0.0002956573,"domain_scores_codex":[0.9999418,0.000008920672,0.000002241377,0.00001040042,0.00002731921,0.000009249795],"domain_scores_gemma":[0.9999241,0.00001977895,0.00001981218,0.000006509915,0.00001892057,0.00001085824],"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":[0.00003235793,0.000007500352,0.0001432601,0.00001898441,0.000003302115,0.00003644757,0.00001923453,0.0001484289,0.9987643,0.00006494367,0.00001746041,0.0007438245],"study_design_scores_gemma":[0.000006099495,0.0001961853,0.005744938,0.000005037814,0.00001961675,0.0001967941,0.00003361124,0.002348021,0.9904761,0.00004960829,0.0009179802,0.000005840857],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975943,0.0003456076,0.0009832603,0.00001398048,0.000003935103,0.000005085685,0.00005362865,0.00001655632,0.0009835643],"genre_scores_gemma":[0.9964246,0.0003678577,0.001450494,0.00001078173,0.000002445174,0.00001234366,0.00013277,0.000008197829,0.001590388],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005563383,"threshold_uncertainty_score":0.001861155,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003205422135890904,"score_gpt":0.1999343268469604,"score_spread":0.1967289047110695,"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."}}