{"id":"W2033608659","doi":"10.1021/jp101804j","title":"Role of Water Complexes in the Reaction of Propionaldehyde with OH Radicals","year":2010,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Atmospheric chemistry and aerosols","field":"Earth and Planetary Sciences","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Propionaldehyde; Chemistry; Radical; Acetaldehyde; Catalysis; Molecule; Chemical reaction; Reaction mechanism; Photochemistry; Chemical kinetics; Reaction intermediate; Computational chemistry; Kinetics; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003645082,0.0004161292,0.0003267649,0.0002830483,0.000306939,0.0006429165,0.0005030964,0.0004405082,0.001764919],"category_scores_gemma":[0.0005167668,0.0002517097,0.0003447184,0.0001107269,0.0006285416,0.0009771376,0.0005135645,0.0005761788,0.0002864455],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003362173,"about_ca_system_score_gemma":0.0001380777,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00110584,"about_ca_topic_score_gemma":0.0006833588,"domain_scores_codex":[0.9997371,0.00003885577,0.00001242193,0.00006811491,0.000047788,0.00009573159],"domain_scores_gemma":[0.9997777,0.00009899303,0.00004969254,0.00002309415,0.00003130634,0.00001919183],"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":[0.0004544949,0.00007282717,0.003522404,0.000332882,0.00007942208,0.0004258333,0.0005862339,0.002029335,0.9854402,0.001889949,0.0001247741,0.005041696],"study_design_scores_gemma":[0.00002426208,0.0002959596,0.00301357,0.000008399132,0.00003003158,0.00009583318,0.000139091,0.00262688,0.991649,0.0005494623,0.001550974,0.0000165972],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.992561,0.002317571,0.00277398,0.000174644,0.000030602,0.0000484167,0.00008191489,0.00006016076,0.001951494],"genre_scores_gemma":[0.9984447,0.0003612302,0.0004358322,0.00002306479,0.000006049295,0.000009849042,0.00004849894,0.000008886648,0.0006618744],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001764919,"threshold_uncertainty_score":0.005904257,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005933085237589905,"score_gpt":0.1995602190698239,"score_spread":0.193627133832234,"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."}}