{"id":"W2334921328","doi":"10.1021/jp301818x","title":"Microwave Rotational Spectra and Structures of 2-Fluoropyridine and 3-Fluoropyridine","year":2012,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada; University of Manitoba","keywords":"Isotopologue; Chemistry; Lone pair; Hyperfine structure; Ab initio; Microwave; Pyridine; Ring (chemistry); Rotational spectroscopy; Ground state; Computational chemistry; Atomic physics; Molecule; Organic chemistry; Physics","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":[0.0001327001,0.0001671744,0.0002861703,0.00001178769,0.00006419021,0.00001459781,0.0001697451,0.0000669006,0.0002641638],"category_scores_gemma":[0.00006615337,0.0001078751,0.00009382979,0.00005755889,0.000230046,0.00009907121,0.00005928381,0.0003926813,3.352125e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002067419,"about_ca_system_score_gemma":0.00003033626,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002620267,"about_ca_topic_score_gemma":1.530881e-7,"domain_scores_codex":[0.9991658,0.00001965219,0.0002596858,0.0000854387,0.0002710803,0.000198292],"domain_scores_gemma":[0.9991843,0.000122937,0.0003141378,0.000155679,0.00007809455,0.0001448976],"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":[0.0001626456,0.00005302861,0.0001821133,0.0001517229,0.00009534506,0.000003618951,0.0005143264,0.00002696534,0.9970036,0.001320052,0.00008202178,0.0004045939],"study_design_scores_gemma":[0.0004516799,0.0000375372,0.001154707,0.00003693235,0.0001302351,0.0005261319,0.0001420272,0.0001618362,0.9917734,0.00533388,0.0001436989,0.000107979],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951355,0.001732692,0.0002321184,0.0001058234,0.00001439448,0.0000219042,0.00001612341,0.000004918851,0.002736534],"genre_scores_gemma":[0.998519,0.00006052536,0.0003992277,0.00002304074,0.0009177062,4.747361e-7,0.000003441488,0.00001355207,0.00006305447],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005230211,"threshold_uncertainty_score":0.4399018,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005779331218121971,"score_gpt":0.2361625859457047,"score_spread":0.2303832547275828,"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."}}