{"id":"W4322494645","doi":"10.1021/acs.cgd.2c01448","title":"pH-Dependent Formation of Two Dihydrazinyltetrazine–Azobistetrazolate Salts with Different Thermal Stabilities and Energetic Performance","year":2023,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"General Dynamics (Canada); University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Mitacs; University of Ottawa","keywords":"Thermogravimetric analysis; Differential scanning calorimetry; Chemistry; Salt (chemistry); Hydrogen bond; Thermal decomposition; Tetrazine; Crystallography; Decomposition; Crystal structure; Single crystal; Powder diffraction; Thermal analysis; Physical chemistry; Molecule; Thermal; Organic chemistry; Thermodynamics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001810986,0.0002013174,0.0002257236,0.0001148421,0.00006451177,0.00004310991,0.00009233891,0.000050207,0.00002731671],"category_scores_gemma":[0.000009413997,0.0001570694,0.00002628768,0.0001545413,0.00005652165,0.0002373572,0.00002980974,0.00007555032,0.000004198643],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003583893,"about_ca_system_score_gemma":0.00001019138,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009377148,"about_ca_topic_score_gemma":0.000007452736,"domain_scores_codex":[0.9990159,0.00004679575,0.0002911891,0.0001499987,0.0002274052,0.0002686621],"domain_scores_gemma":[0.9996101,0.00006945481,0.00005283051,0.0001513511,0.00005068842,0.00006560699],"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":[0.00015119,0.00003905914,0.001589515,0.001529503,0.00004512531,0.000007965261,0.001379642,0.1570378,0.8341684,0.0009116055,0.00006661741,0.003073609],"study_design_scores_gemma":[0.001053131,0.0003874184,0.01938865,0.0001848387,0.00004992588,0.00001650206,0.0001879161,0.140164,0.837577,0.0006025138,0.00001857999,0.0003695816],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9821432,0.0001393998,0.01664153,0.00001155958,0.0001749699,0.0001944418,0.000009972763,0.0002597224,0.0004252025],"genre_scores_gemma":[0.9992319,0.0002765952,0.0002792624,0.000004331908,0.00004390754,0.00004530952,0.00001865399,0.0000374027,0.00006268631],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01779914,"threshold_uncertainty_score":0.6405105,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01147761101907263,"score_gpt":0.186091866807417,"score_spread":0.1746142557883444,"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."}}