{"id":"W2028468871","doi":"10.1063/1.481220","title":"Rotational spectra of four of the five conformers of 1-pentene","year":2000,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":29,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Conformational isomerism; Ab initio; Rotational spectroscopy; Chemistry; Molecular beam; Molecular symmetry; Isomerization; Ab initio quantum chemistry methods; Potential energy surface; Computational chemistry; Molecule","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":[0.0001148193,0.0001480871,0.0001052837,0.0002884513,0.0002876381,0.0001758453,0.0002590103,0.0002100262,0.002196981],"category_scores_gemma":[0.0002536396,0.0000995049,0.0001427952,0.0002616287,0.0002408593,0.0001856099,0.0001515181,0.0002422827,0.00008933886],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002005667,"about_ca_system_score_gemma":0.00006951488,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008196267,"about_ca_topic_score_gemma":0.001183956,"domain_scores_codex":[0.9999102,0.000008363772,0.000004224591,0.00002971301,0.00002601949,0.0000215176],"domain_scores_gemma":[0.9999077,0.00001824729,0.00002876039,0.00001480156,0.00001528237,0.00001517915],"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":[0.0003486197,0.00006851043,0.01158749,0.00005022369,0.0000314314,0.000177001,0.00031213,0.002270594,0.97536,0.00141382,0.0001861319,0.008194143],"study_design_scores_gemma":[0.00005661011,0.001408605,0.1776371,0.00001878886,0.00006131961,0.0004902966,0.0008360602,0.02440769,0.7906659,0.0008101375,0.003526808,0.00008056431],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987261,0.00003684187,0.0004975938,0.00001432489,0.000002383178,0.000002659834,0.00008068114,0.000009182894,0.0006303422],"genre_scores_gemma":[0.9986475,0.00004131392,0.0005703621,0.00001175193,0.000001162354,0.000004530289,0.0003392352,0.000006409467,0.0003776483],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002196981,"threshold_uncertainty_score":0.00734961,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006015470840221533,"score_gpt":0.2212295854995656,"score_spread":0.215214114659344,"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."}}