{"id":"W1996877709","doi":"10.1038/npre.2010.5467.1","title":"Gas phase enthalpies of formation for aminonitroacetylene, aminonitromethane, and diaminodinitromethane: A Gaussian-4 (G4) theoretical study","year":2010,"lang":"en","type":"preprint","venue":"Nature Precedings","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Okanagan College","funders":"Western Canada Research Grid; Compute Canada","keywords":"Thermodynamics; Gas phase; Standard enthalpy of formation; Gaussian; Standard enthalpy change of formation; Physical chemistry; Phase (matter); Chemistry; Materials science; Physics; Computational chemistry; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003821775,0.0003775537,0.0003135761,0.0006423255,0.0005457643,0.0002197025,0.0007297015,0.0003162662,0.003331041],"category_scores_gemma":[0.0005978984,0.0002208193,0.0003056306,0.000416274,0.0006248611,0.00041216,0.000347271,0.0004132862,0.0003075551],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008016461,"about_ca_system_score_gemma":0.0003546985,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001765751,"about_ca_topic_score_gemma":0.001808077,"domain_scores_codex":[0.9998788,0.00001775617,0.000003207184,0.00001634509,0.00005707883,0.00002681463],"domain_scores_gemma":[0.9998011,0.0001090241,0.00001847616,0.00001995032,0.00003474822,0.00001664554],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0006224205,0.0001918621,0.008835061,0.0006782815,0.00009398389,0.0009426483,0.0003495394,0.5955102,0.2856995,0.08623172,0.003068059,0.01777668],"study_design_scores_gemma":[0.00005592656,0.0002075735,0.008091167,0.00002392724,0.00002131441,0.000167585,0.0001278082,0.8417885,0.1326928,0.01413305,0.00263451,0.00005591109],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9761958,0.0007958549,0.01263773,0.000179922,0.00003140546,0.00003805606,0.0005752004,0.0001626559,0.009383256],"genre_scores_gemma":[0.9966314,0.0002410494,0.001495862,0.00001838894,0.000008009382,0.0000343885,0.0003592001,0.00004331318,0.001168342],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003331041,"threshold_uncertainty_score":0.01114345,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008200852479189443,"score_gpt":0.2917493000726392,"score_spread":0.2835484475934497,"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."}}