{"id":"W1992169505","doi":"10.1038/npre.2011.6421.1","title":"Gas phase enthalpies of formation, isomerization, and disproportionation of mono- through tetra-substituted tetrahedranes: A G4MP2/G4 theoretical study","year":2011,"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":"Saskatchewan Polytechnic","funders":"Western Canada Research Grid; Compute Canada","keywords":"Chemistry; Disproportionation; Isomerization; Tetra; Endothermic process; Standard enthalpy of formation; Medicinal chemistry; Gas phase; Computational chemistry; Standard enthalpy change of formation; Enthalpy; Physical chemistry; Thermodynamics; Organic chemistry; Catalysis; Adsorption","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001498775,0.0003906018,0.0005907441,0.0001061621,0.0000854451,0.00002955156,0.0003748523,0.001033087,0.0002784964],"category_scores_gemma":[0.0005433768,0.0003475239,0.000167113,0.0001887975,0.0003748391,0.0001576643,0.0004216595,0.001090295,2.448166e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005848733,"about_ca_system_score_gemma":0.00006336366,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002408978,"about_ca_topic_score_gemma":0.000003787388,"domain_scores_codex":[0.997941,0.00002574112,0.0007825473,0.0005326865,0.0005155113,0.0002025235],"domain_scores_gemma":[0.9979437,0.0000700493,0.0008968808,0.0004613217,0.0005521739,0.00007590222],"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":[0.0004795929,0.001221122,0.001826034,0.002846957,0.0005675476,0.000006813926,0.01564701,0.00004063195,0.86177,0.1129906,0.00003845089,0.002565228],"study_design_scores_gemma":[0.002540587,0.0001002652,0.0004271113,0.0005813346,0.0004987431,0.00002505733,0.0009894919,0.002725413,0.8340397,0.1573554,0.000130198,0.0005866924],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9903032,0.0008387902,0.004080206,0.00006169415,0.0001961266,0.0005326858,0.000274311,0.000065127,0.003647871],"genre_scores_gemma":[0.9974288,0.0003200778,0.001351129,0.0000167862,0.00008343325,0.00005417964,0.0006874942,0.00004455591,0.00001350839],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04436478,"threshold_uncertainty_score":0.9998977,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009272373536403823,"score_gpt":0.2761447447740921,"score_spread":0.2668723712376883,"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."}}