{"id":"W2080595376","doi":"10.1002/chem.201304321","title":"Perfluorobutyric Acid and Its Monohydrate: A Chirped Pulse and Cavity Based Fourier Transform Microwave Spectroscopic Study","year":2014,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"University of Alberta; Welch Foundation","keywords":"Conformational isomerism; Chemistry; Hydrogen bond; Dipole; Trifluoroacetic acid; Ab initio; Fourier transform; Ab initio quantum chemistry methods; Pulse sequence; Microwave; Spectral line; Rotational spectroscopy; Molecule; Nuclear magnetic resonance; Physics; Organic chemistry","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0005075473,0.0004435792,0.0003925646,0.0000400654,0.0004567869,0.0003220679,0.0003354387,0.00009743343,0.0009928985],"category_scores_gemma":[0.00009561033,0.0004006854,0.0001175855,0.0001022168,0.0000970186,0.000120664,0.00007502058,0.001087256,0.000009073505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006634442,"about_ca_system_score_gemma":0.00006639838,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001528404,"about_ca_topic_score_gemma":0.000001573216,"domain_scores_codex":[0.9980334,0.0001474308,0.0004440731,0.0005509225,0.0003082019,0.0005159391],"domain_scores_gemma":[0.998822,0.00002481107,0.0002032459,0.0003865082,0.00007181946,0.0004916707],"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":[0.0001287377,0.0001198589,0.0007232128,0.0001958141,0.00007355982,0.0004703676,0.0004607209,0.000003130248,0.9936065,0.000003461353,0.00005337286,0.004161248],"study_design_scores_gemma":[0.004188041,0.0001670982,0.001994406,0.0001046973,0.0001764365,0.001358848,0.0002397848,0.00459697,0.985279,0.0001030264,0.001237087,0.0005546695],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.983681,0.0008484937,0.001124482,0.0002187882,0.0000545199,0.0001087937,0.00001335943,0.00005590004,0.01389471],"genre_scores_gemma":[0.9975932,0.00006275887,0.0008212884,0.00009520965,0.0004808295,0.000004196213,0.00001253398,0.00007236638,0.0008576312],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01391223,"threshold_uncertainty_score":0.9999203,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00639069203954673,"score_gpt":0.2119444684348028,"score_spread":0.2055537763952561,"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."}}