{"id":"W1808309260","doi":"10.1139/cjc-2013-0321","title":"Theoretical investigations on heat of formation, detonation performance, and pyrolysis mechanism of 1,3,5,7,9,11-hexo(nitramine)-2,4,6,8,10,12- hexaazatetracyclo[5,5,0,0,0]dodecane","year":2013,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Bond-dissociation energy; Detonation; Raman spectroscopy; Energetic material; Standard enthalpy of formation; Thermodynamics; Thermal stability; Thermal decomposition; Physical chemistry; Dissociation (chemistry); Computational chemistry; Crystallography; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001207727,0.0002738561,0.0002651517,0.000354852,0.0003098684,0.0001721039,0.0003494762,0.0002563694,0.00179105],"category_scores_gemma":[0.0002320777,0.0001218983,0.0001816452,0.0002615684,0.0003083193,0.0002186359,0.0001323382,0.000196796,0.0001104276],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004210437,"about_ca_system_score_gemma":0.0002979133,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001944395,"about_ca_topic_score_gemma":0.002191025,"domain_scores_codex":[0.9999586,0.00000550912,0.000001086398,0.000005680596,0.00001784404,0.00001123869],"domain_scores_gemma":[0.9999309,0.00004158476,0.000007483269,0.000004521797,0.00001007869,0.000005388229],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004041545,0.0001443138,0.004811649,0.0009890051,0.00003542905,0.0006726776,0.0002818831,0.624308,0.3025104,0.05120267,0.00062021,0.01401963],"study_design_scores_gemma":[0.00003939133,0.0002522667,0.003900382,0.00001835581,0.0000156167,0.0000736167,0.0001272258,0.9276996,0.06381548,0.002899064,0.001137869,0.00002108854],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9878297,0.0003994522,0.006186548,0.00005834128,0.000008790433,0.00001623379,0.0001988591,0.00003505583,0.005266935],"genre_scores_gemma":[0.9966539,0.0002851209,0.002025959,0.000008084116,0.000002022681,0.0000279982,0.0001432164,0.000008655589,0.000845152],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001944395,"threshold_uncertainty_score":0.005991697,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004164243954050532,"score_gpt":0.1531526829651832,"score_spread":0.1489884390111327,"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."}}