{"id":"W1977743638","doi":"10.1063/1.4906687","title":"Computing vibrational and ro-vibrational spectra of CH5+","year":2015,"lang":"en","type":"article","venue":"AIP conference proceedings","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Infrared spectroscopy; Spectral line; Atomic physics; Computational chemistry; Physics; Chemistry; Organic chemistry; Quantum mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001059912,0.0001093712,0.0001345533,0.00003509676,0.00007666057,0.00007337162,0.0001393258,0.00006850504,0.0004340778],"category_scores_gemma":[0.00006478284,0.0001119815,0.00002245598,0.0001067501,0.0001110819,0.000218536,0.00005554191,0.0001283284,0.00001248517],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002936517,"about_ca_system_score_gemma":0.000174774,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001883677,"about_ca_topic_score_gemma":0.000003280879,"domain_scores_codex":[0.9991888,0.000001588812,0.0002124636,0.0002289108,0.0002210648,0.0001471088],"domain_scores_gemma":[0.9993736,0.00003551111,0.0001212891,0.00006536426,0.0002921162,0.0001121757],"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":[0.00002994672,0.00007731793,0.06603576,0.00007406274,0.00002422187,3.455291e-7,0.001927081,0.000004080379,0.6767777,0.2533736,0.001266817,0.0004090027],"study_design_scores_gemma":[0.001241706,0.0001168821,0.01961518,0.0001300852,0.00005241817,0.00005640818,0.003546022,0.1189168,0.8022334,0.0512885,0.002295945,0.0005065805],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8353527,0.00009123796,0.04000238,0.001683796,0.00003545568,0.0001105322,0.00002698869,0.0001270128,0.1225699],"genre_scores_gemma":[0.9913978,0.000007735668,0.008191344,0.0000719169,0.0001577926,0.00001352989,0.00002940924,0.00000902489,0.0001214436],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2020851,"threshold_uncertainty_score":0.4752847,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02851772788559402,"score_gpt":0.2687871454313348,"score_spread":0.2402694175457408,"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."}}