{"id":"W2808379529","doi":"10.1139/cjc-2018-0106","title":"Density functional study of guanidine-azole salts as energetic materials","year":2018,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Guanidine; Detonation; Azole; Density functional theory; Ion; Inorganic chemistry; Computational 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":[0.0001474656,0.00009209636,0.0001851879,0.00004312398,0.00004349619,0.00002448522,0.0001164657,0.00006361845,0.0021098],"category_scores_gemma":[0.00004225257,0.00009161655,0.00003017226,0.00006108086,0.0000383623,0.00004516793,0.000006792722,0.00006213224,0.000008457458],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006845352,"about_ca_system_score_gemma":0.0001958613,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006751433,"about_ca_topic_score_gemma":0.0008259462,"domain_scores_codex":[0.9993219,0.00001310704,0.0003302034,0.00006183627,0.000125216,0.0001477277],"domain_scores_gemma":[0.9993519,0.000008469114,0.00009844296,0.000119056,0.0001961589,0.0002259669],"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":[0.00001530098,0.00001995763,0.0007387482,0.00005440503,0.00005124919,0.00003821727,0.0001862405,0.00107669,0.9947147,0.00001296579,0.002965478,0.0001260758],"study_design_scores_gemma":[0.0003170161,0.0000825021,0.00452507,0.00004212753,0.00002496654,0.0001188698,0.0002015539,0.00002077192,0.9937269,0.0001314051,0.0007187275,0.00009010053],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975266,0.00007535005,0.00004884736,0.0000196986,0.0009702694,0.00002499659,0.00000564295,0.000008408403,0.001320194],"genre_scores_gemma":[0.9991383,0.000005870613,0.00004624347,0.00001407534,0.0006472674,9.65162e-7,0.000003330574,0.00001427116,0.00012967],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003786322,"threshold_uncertainty_score":0.9988024,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00714731825619487,"score_gpt":0.1787650210946861,"score_spread":0.1716177028384912,"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."}}