{"id":"W2058621641","doi":"10.1016/s1387-3806(02)00745-5","title":"Structures, thermochemistry, and infrared spectra of chloride ion–fluorinated acetone complexes and neutral fluorinated acetones in the gas phase: experiment and theory","year":2002,"lang":"en","type":"article","venue":"International Journal of Mass Spectrometry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":13,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Thermochemistry; Standard enthalpy of formation; Enthalpy; Chloride; Ion; Infrared spectroscopy; Physical chemistry; Ionization energy; Hydrogen bond; Sulfuryl chloride; Proton affinity; Ab initio; Mass spectrometry; Mass spectrum; Chlorine; Ionization; Analytical Chemistry (journal); Molecule; Medicinal chemistry; Organic chemistry; Thermodynamics","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":[0.0002674889,0.0002744617,0.0001333382,0.0004030374,0.0004055417,0.0002054049,0.0005677444,0.0003651516,0.002888084],"category_scores_gemma":[0.0002950007,0.0001421819,0.0001626807,0.0002502402,0.0005704233,0.0003342808,0.0002181069,0.0002634889,0.0002230788],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004101211,"about_ca_system_score_gemma":0.0001266239,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001023662,"about_ca_topic_score_gemma":0.0007608522,"domain_scores_codex":[0.9998747,0.00001526327,0.000004390654,0.000034697,0.00003455072,0.00003630445],"domain_scores_gemma":[0.9998568,0.00004382926,0.00004860687,0.00001351261,0.00002358515,0.00001358766],"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":[0.001487892,0.00005984934,0.005311751,0.0001542545,0.00002569487,0.0002236779,0.000341555,0.001582433,0.9821692,0.00271236,0.0005143906,0.005416908],"study_design_scores_gemma":[0.00004493574,0.0003863485,0.0119758,0.000008007526,0.00002664015,0.0001806264,0.0001511357,0.005333906,0.9793962,0.0006109687,0.001861866,0.00002355925],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9936224,0.0007453986,0.002484333,0.00008350517,0.00001485317,0.00001012056,0.0001787904,0.00004462133,0.002816091],"genre_scores_gemma":[0.9987741,0.0001153678,0.0003092053,0.00002168553,0.0000034713,0.000004703325,0.0001173201,0.000006470669,0.0006476797],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002888084,"threshold_uncertainty_score":0.009661615,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01270684644161215,"score_gpt":0.2771723751392409,"score_spread":0.2644655286976287,"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."}}