{"id":"W1951177709","doi":"10.1139/cjc-2013-0287","title":"A comparative theoretical study of heterocycle-functionalized tetrazolate- and tetrazolate-1-oxide-based dianionic salts","year":2013,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Priority Academic Program Development of Jiangsu Higher Education Institutions; National Natural Science Foundation of China","keywords":"Chemistry; Tetrazine; Detonation; Salt (chemistry); Standard enthalpy of formation; Inorganic chemistry; Oxide; Computational chemistry; Physical chemistry; Organic chemistry; Explosive material","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00009184313,0.0001210186,0.0002681818,0.00005446375,0.00003974216,0.00004488053,0.00009939843,0.00007262529,0.001618996],"category_scores_gemma":[0.0000186416,0.0001082809,0.00002921411,0.00005809866,0.00008907248,0.00006787304,0.000004286881,0.0001545767,0.000003113053],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006430367,"about_ca_system_score_gemma":0.0001249983,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004211056,"about_ca_topic_score_gemma":0.0002417491,"domain_scores_codex":[0.9992717,0.000019608,0.0003487694,0.00007620388,0.0001175032,0.0001662409],"domain_scores_gemma":[0.9993419,0.000048109,0.00008161795,0.00009837456,0.00008946544,0.0003405399],"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":[0.0001402652,0.0002930633,0.01401103,0.0006992613,0.0006031736,0.0001297142,0.001766178,0.05849642,0.9178919,0.0004494119,0.003762942,0.001756677],"study_design_scores_gemma":[0.01239004,0.001152221,0.1432494,0.0007558063,0.0003882245,0.0005902559,0.005157673,0.0252515,0.8010479,0.005179599,0.003143533,0.001693825],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987868,0.0002504499,0.00008120022,0.00003972774,0.0001335358,0.00007917146,0.00001092172,0.000009540589,0.0006086217],"genre_scores_gemma":[0.9998093,0.000006834534,0.00008444683,0.00001437173,0.00005009923,0.000004946123,0.000005683035,0.00001311897,0.00001123886],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1292384,"threshold_uncertainty_score":0.9992937,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006680605817940483,"score_gpt":0.1890982738217734,"score_spread":0.1824176680038329,"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."}}