{"id":"W4405660083","doi":"10.1016/j.combustflame.2024.113888","title":"Ab initio Kinetics of OH + Fulvenallene","year":2024,"lang":"en","type":"article","venue":"Combustion and Flame","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Institute for Computational Science and Technology; Viet Nam National University Ho Chi Minh City; University of Science Ho Chi Minh City; University of Alberta; Palo Alto Health Sciences","keywords":"Kinetics; Ab initio; Computational chemistry; Chemistry; Thermodynamics; Ab initio quantum chemistry methods; Physical chemistry; Physics; Organic chemistry; Molecule; Classical mechanics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00001325871,0.00006289713,0.00009291434,0.00001816762,0.00001856675,0.00001079575,0.00002962558,0.00001286541,0.00006518893],"category_scores_gemma":[0.000001786012,0.00005694024,0.00003307897,0.00006588562,0.00006617322,0.00004284428,0.00003780631,0.0000721477,0.00001387902],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000005828228,"about_ca_system_score_gemma":0.000004032507,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002321033,"about_ca_topic_score_gemma":1.17198e-7,"domain_scores_codex":[0.9996769,0.000004520528,0.0000976916,0.00009638477,0.00005259456,0.00007189258],"domain_scores_gemma":[0.9998192,0.00004126148,0.00002033807,0.00006366396,0.00003034458,0.00002517667],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00002253836,0.0002399062,0.001104841,0.0002900678,0.000225231,0.000003119122,0.0007287831,0.0004751493,0.2622501,0.6215545,0.004277957,0.1088278],"study_design_scores_gemma":[0.0006633127,0.0001248633,0.001431283,0.0003007823,0.0001101335,0.000001263494,0.0008118108,0.001210742,0.3154713,0.6562126,0.02327292,0.0003890305],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8459052,0.00242917,0.08934167,0.0007683938,0.0003946515,0.0001616351,0.00008059783,0.0001219903,0.06079666],"genre_scores_gemma":[0.9991671,0.00003569572,0.0003143049,0.00001695766,0.0001465447,0.000004477044,0.00001768321,0.000007299679,0.0002899718],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1532618,"threshold_uncertainty_score":0.2321955,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01209360185148639,"score_gpt":0.255093154747737,"score_spread":0.2429995528962506,"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."}}