{"id":"W2485541473","doi":"10.1139/cjc-2016-0272","title":"Thermochemistry of icosahedral closo-dicarboranes: a composite ab initio quantum-chemical perspective","year":2016,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Boron Compounds in Chemistry","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Thermochemistry; Ab initio; Bond-dissociation energy; Standard enthalpy of formation; Computational chemistry; Ionization energy; Isomerization; Coupled cluster; Ab initio quantum chemistry methods; Ionization; Dissociation (chemistry); Physical chemistry; Thermodynamics; Molecule; Organic chemistry","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":[0.0002198562,0.000309484,0.0006983441,0.00007852559,0.0000551451,0.00002235665,0.0004903557,0.0003755558,0.001141066],"category_scores_gemma":[0.0006545572,0.0002442132,0.0003815494,0.0002046482,0.0008183788,0.0001016222,0.0000313585,0.0006321466,0.000006849757],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009145622,"about_ca_system_score_gemma":0.003573895,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002035864,"about_ca_topic_score_gemma":0.00002223723,"domain_scores_codex":[0.9979228,0.00002179823,0.0008000487,0.0002995012,0.000472449,0.0004833637],"domain_scores_gemma":[0.9963892,0.0001939059,0.000555023,0.0005275079,0.001037203,0.001297231],"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":[0.0002350594,0.000085214,0.004656994,0.0002622812,0.0002555504,0.0006780418,0.0002335912,3.546895e-7,0.9913644,0.00005515585,0.001829396,0.0003439265],"study_design_scores_gemma":[0.002471084,0.00006519135,0.0005555302,0.001259267,0.0001559952,0.004077824,0.0007197284,0.000004287169,0.9882736,0.001205688,0.0009434449,0.000268363],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.972243,0.001403376,0.00004459463,0.003336747,0.0001204996,0.00007058428,0.0001237491,0.00001796098,0.02263957],"genre_scores_gemma":[0.9982358,0.00004452713,0.0004483589,0.0001673857,0.0007759809,0.000003070795,0.000009171989,0.00005104959,0.0002647092],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02599282,"threshold_uncertainty_score":0.999772,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0146258455876029,"score_gpt":0.2553848655586879,"score_spread":0.240759019971085,"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."}}