{"id":"W2788399706","doi":"10.1021/acsomega.7b02002","title":"Hydration and Secondary Ozonide of the Criegee Intermediate of Sabinene","year":2018,"lang":"en","type":"article","venue":"ACS Omega","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Winnipeg; Memorial University of Newfoundland","funders":"Compute Canada; Deanship of Academic Research, University of Jordan","keywords":"Chemistry; Dimer; Monomer; Ozonide; Photochemistry; Ketone; Water dimer; Dissociation (chemistry); Sabinene; Density functional theory; Activation energy; Physical chemistry; Computational chemistry; Molecule; Organic chemistry; Ozonolysis","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":[],"consensus_categories":[],"category_scores_codex":[0.00003849476,0.00004666838,0.0000784326,0.00001120685,0.00002348556,0.000003954893,0.00008013986,0.00004793937,0.0001033741],"category_scores_gemma":[0.00008895446,0.00003329255,0.00002693354,0.00004908789,0.0001114815,0.00004395161,0.00006522531,0.00006788479,0.00000237159],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001092189,"about_ca_system_score_gemma":0.00002263129,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001995313,"about_ca_topic_score_gemma":0.00001788886,"domain_scores_codex":[0.9996541,0.000003067428,0.0001299799,0.00007825087,0.00007149592,0.00006314643],"domain_scores_gemma":[0.99963,0.00003838045,0.00007729799,0.0001812512,0.00004986926,0.00002314935],"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":[0.000009884003,0.00001764348,0.0002312206,0.00003875794,0.00000860228,1.009406e-7,0.0001141995,4.541866e-8,0.9927217,0.0006697837,0.0002058857,0.005982176],"study_design_scores_gemma":[0.0001802611,0.00001739667,0.000600376,0.00003177384,0.00001261058,0.000002833029,0.00006302841,0.00002052554,0.9910007,0.00228308,0.005753375,0.00003411447],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9847604,0.00003877842,0.00002653112,0.00007928626,0.00007572514,0.00001936582,0.00001407428,0.000007706381,0.0149781],"genre_scores_gemma":[0.9990156,0.00001866256,0.00008874237,0.00003766016,0.00007774831,0.000002660868,0.00000433111,0.000005484781,0.0007490903],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01425519,"threshold_uncertainty_score":0.1357631,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007312420097348231,"score_gpt":0.2251103869932803,"score_spread":0.2177979668959321,"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."}}