{"id":"W2057089681","doi":"10.1021/jp036401t","title":"Infrared Spectroscopy of Aqueous Carboxylic Acids:  Comparison between Different Acids and Their Salts","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":545,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"","keywords":"Chemistry; Titration; Infrared spectroscopy; Aqueous solution; Hydrogen bond; Carboxylic acid; Titration curve; Malic acid; Infrared; Analytical Chemistry (journal); Protonation; Spectral line; Crystallography; Inorganic chemistry; Molecule; Physical chemistry; Organic chemistry; Ion; Citric acid","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":[0.00008695031,0.0002235266,0.0006136313,0.00001141633,0.00009190138,0.0000171867,0.0002774197,0.00003626466,0.00002851919],"category_scores_gemma":[0.0000135884,0.0001264832,0.0001944296,0.00009596247,0.0002413433,0.00005604585,0.0001030845,0.0004663669,9.837399e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004560482,"about_ca_system_score_gemma":0.00003484848,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001804219,"about_ca_topic_score_gemma":1.930135e-7,"domain_scores_codex":[0.9990444,0.00002725871,0.0003817412,0.0001121929,0.000199434,0.0002350046],"domain_scores_gemma":[0.9990401,0.0002154015,0.0003884493,0.0001778059,0.00006414456,0.0001141305],"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":[0.0001224374,0.0003335467,0.003955242,0.0000433203,0.0003019392,6.332646e-7,0.0016319,0.00008544958,0.992839,0.0002275368,0.00005514324,0.000403807],"study_design_scores_gemma":[0.0007936413,0.0002016007,0.00238744,0.00008625932,0.0001245858,0.000003021009,0.0006987112,0.00006775233,0.9680098,0.02743731,0.00006268838,0.0001271982],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961967,0.0003043632,0.001103577,0.0001785544,0.00001436739,0.00005668892,0.00002841408,0.000007618755,0.00210964],"genre_scores_gemma":[0.999016,0.0000130946,0.00003506669,0.000009615547,0.000888616,0.000001759492,0.000004451078,0.0000126662,0.0000186812],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02720977,"threshold_uncertainty_score":0.5157835,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01068535220771123,"score_gpt":0.2626666892462631,"score_spread":0.2519813370385519,"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."}}