{"id":"W2021698130","doi":"10.1080/00268970110099576","title":"Rotational spectra and internal dynamics of Ne—H<sub>2</sub>S","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Isotopomers; Chemistry; Quadrupole; Hyperfine structure; Kinetic isotope effect; Excited state; Atomic physics; Coupling constant; Rotational spectroscopy; Ground state; Ab initio; Ab initio quantum chemistry methods; Spectral line; Molecular physics; Physics; Molecule; Deuterium","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":[0.00002199777,0.0001676595,0.000177751,0.00002122299,0.00004269998,0.00002791419,0.0001432606,0.00008410568,0.0001605307],"category_scores_gemma":[0.00001424303,0.0001804569,0.0001058413,0.00009267318,0.00009167552,0.00005052926,0.00005288585,0.0002232554,0.000007389054],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000408331,"about_ca_system_score_gemma":0.00001170755,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005432139,"about_ca_topic_score_gemma":0.000003821794,"domain_scores_codex":[0.9991238,0.00001363118,0.0001786802,0.0002387808,0.0002571036,0.0001880456],"domain_scores_gemma":[0.9995274,0.00001152269,0.00009976621,0.0002472468,0.00004525673,0.00006880422],"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":[0.00000827749,0.00005013096,0.0002399773,0.00005986535,0.00006624005,0.00004766886,0.0001004584,0.0001222696,0.9551522,0.03613541,0.0000627628,0.007954713],"study_design_scores_gemma":[0.0003450734,0.00002490664,0.0001832457,0.00002943636,0.00003304384,0.00002978885,0.00001718622,0.01811725,0.9616635,0.0193287,0.00005359312,0.0001743097],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9468869,0.0002673097,0.03868307,0.00009648073,0.00004363532,0.00004167065,0.00003927606,0.00002875777,0.01391291],"genre_scores_gemma":[0.9983426,0.00003828761,0.001298757,0.00008164418,0.00008944033,0.000004311992,0.00004252284,0.00002758161,0.00007483868],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05145573,"threshold_uncertainty_score":0.735882,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003717771649479037,"score_gpt":0.1967174579280457,"score_spread":0.1929996862785666,"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."}}