{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001573287,0.0006473057,0.0005711156,0.0002713711,0.0004813697,0.0005219099,0.0008028326,0.0007136586,0.004738723],"category_scores_gemma":[0.0003422285,0.0002883188,0.0005150739,0.0002439379,0.0003717087,0.0006354059,0.0004283448,0.0005891372,0.0002902464],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006972117,"about_ca_system_score_gemma":0.0007201771,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00530841,"about_ca_topic_score_gemma":0.003144133,"domain_scores_codex":[0.9999254,0.000007405299,0.000001899514,0.00001487535,0.00001851013,0.00003194844],"domain_scores_gemma":[0.9998964,0.00005112481,0.00001156935,0.000008465716,0.00001806371,0.00001427291],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0007961116,0.0002456893,0.005682301,0.0008224391,0.0001784997,0.001885676,0.0004341539,0.7880808,0.1796658,0.01179453,0.001725706,0.008688321],"study_design_scores_gemma":[0.0001493967,0.0003584191,0.003502302,0.00002845375,0.00005980552,0.00009178468,0.0002767006,0.9284413,0.06261335,0.002775072,0.001656024,0.00004739865],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890259,0.0002378081,0.005156064,0.0001191308,0.00001238801,0.00003010524,0.0005201508,0.0001213077,0.004777148],"genre_scores_gemma":[0.9957876,0.0001855661,0.002574535,0.00002100024,0.000003177709,0.00002987325,0.0004110215,0.00003231625,0.0009548442],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00530841,"threshold_uncertainty_score":0.01585257,"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."}}