{"id":"W2766239109","doi":"10.1021/acs.jpca.7b08984","title":"Rotational Spectroscopy of <i>p</i>-Toluic Acid and Its 1:1 Complex with Water","year":2017,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Spectroscopy; Chemistry; Materials science; Physics; Nuclear magnetic resonance; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001344823,0.0002502903,0.0002262494,0.0001167614,0.0001576431,0.0001749816,0.0003742613,0.0002694106,0.00111602],"category_scores_gemma":[0.0002945348,0.0001331182,0.0001009228,0.0001645317,0.000311414,0.0002227738,0.000198336,0.0004557386,0.0001160595],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002215754,"about_ca_system_score_gemma":0.00008835556,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000737326,"about_ca_topic_score_gemma":0.000425941,"domain_scores_codex":[0.9998797,0.00001811673,0.000002987091,0.00003666339,0.00002657575,0.00003592546],"domain_scores_gemma":[0.9999148,0.00002439679,0.00002656037,0.000005725488,0.00001089023,0.00001773373],"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":[0.0002024251,0.00002608605,0.0007872736,0.00004964271,0.00001506457,0.00006212859,0.0001286062,0.0002955011,0.9965384,0.0001766961,0.00005650112,0.00166169],"study_design_scores_gemma":[0.00003377581,0.0004828411,0.01116766,0.00001002904,0.00002130718,0.000161439,0.0002259167,0.007682089,0.9784493,0.0001462964,0.001593167,0.00002613218],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986659,0.0002148946,0.0006999188,0.00003182268,0.000004051097,0.000003532665,0.00003323045,0.00001694504,0.000329711],"genre_scores_gemma":[0.999079,0.000139053,0.0004045714,0.00001641035,0.000002405119,0.000004622271,0.0001021447,0.000008916937,0.0002428226],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00111602,"threshold_uncertainty_score":0.003733397,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009471761431553396,"score_gpt":0.2565343462630623,"score_spread":0.2470625848315089,"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."}}