{"id":"W4400121632","doi":"10.3390/spectroscj2030006","title":"Interpreting the Microwave Spectra of Diatomic Molecules—Part II: Nuclear Quadrupole Coupling of One Nucleus","year":2024,"lang":"en","type":"article","venue":"Spectroscopy Journal","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Saint Mary's University","funders":"","keywords":"Diatomic molecule; Quadrupole; Spectral line; Chemistry; Deuterium; Halide; Atomic physics; Microwave; Coupling (piping); Molecule; Rotational spectroscopy; Physics; Materials science; Inorganic 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003212203,0.000569232,0.0002680115,0.0009305838,0.0003347301,0.0006952122,0.0006548208,0.0004563135,0.005950565],"category_scores_gemma":[0.0007471204,0.0002413902,0.0001401122,0.0007323945,0.0005939167,0.0008297035,0.0003492136,0.0006513172,0.001626984],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001796047,"about_ca_system_score_gemma":0.0001541773,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003894748,"about_ca_topic_score_gemma":0.0005117381,"domain_scores_codex":[0.9999241,0.00001645987,0.000003044741,0.00001658515,0.00002967366,0.00001013997],"domain_scores_gemma":[0.9997874,0.00008109197,0.00003984509,0.00003482736,0.00004080069,0.00001611568],"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":[0.0001031267,0.00002801121,0.001844577,0.0003745822,0.00001848933,0.0003998066,0.0004049006,0.003107093,0.9078456,0.01296409,0.002434693,0.07047498],"study_design_scores_gemma":[0.00003451847,0.000256859,0.04155236,0.0001679613,0.0001223163,0.003943524,0.00141352,0.05508933,0.7651688,0.06478963,0.06734164,0.0001195572],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.3999275,0.007898401,0.5371305,0.00132631,0.0007801592,0.0001503708,0.001301294,0.002648536,0.04883694],"genre_scores_gemma":[0.7452438,0.006210378,0.2294231,0.0004255201,0.0002991427,0.0000777051,0.0007333427,0.001044612,0.01654245],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005950565,"threshold_uncertainty_score":0.01990664,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005997465736984503,"score_gpt":0.2396876889004768,"score_spread":0.2336902231634923,"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."}}