{"id":"W2959724540","doi":"10.1039/c9cp02409c","title":"Theoretical investigation of the valence states in Au <i>via</i> the Au–F compounds under high pressure","year":2019,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Saskatoon Medical Imaging; University of Saskatchewan","funders":"China Scholarship Council; Yanshan University; National Natural Science Foundation of China; Natural Environment Research Council; Sight Research UK","keywords":"Valence (chemistry); High pressure; Materials science; Physics; Chemistry; Computational chemistry; Thermodynamics; Chemical physics; Theoretical physics; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001087508,0.0003401089,0.0004094499,0.000004737798,0.00009601741,0.00002982883,0.0009486366,0.0002329426,0.0001710494],"category_scores_gemma":[0.00003341881,0.0002107619,0.0002494576,0.0003543974,0.001225706,0.00009464402,0.0003660068,0.001098519,0.00002114173],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002168877,"about_ca_system_score_gemma":0.0002049105,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001391692,"about_ca_topic_score_gemma":6.351644e-7,"domain_scores_codex":[0.9980374,0.0000355202,0.0003962915,0.0004627966,0.0005717844,0.0004962032],"domain_scores_gemma":[0.9981859,0.0004872119,0.0002142856,0.0009031055,0.00009947785,0.0001100653],"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":[0.00004189172,0.0002171466,0.001735031,0.000406231,0.00007794286,4.904705e-7,0.0005879462,0.001322863,0.9784042,0.017018,0.0001168616,0.00007138572],"study_design_scores_gemma":[0.0004893827,0.000007376167,0.0001517226,0.0001307345,0.00007955311,0.000003793632,0.00008850924,0.01109576,0.8388222,0.1488181,0.00007260016,0.0002403335],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9902169,0.00003976821,0.00002551614,0.0006879481,0.00008721714,0.0001135876,0.00003941528,0.00004482588,0.008744861],"genre_scores_gemma":[0.9988121,0.000004868581,0.00001489514,0.0001333319,0.0006200612,0.00001664745,0.00007588077,0.00004218162,0.0002800564],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1395821,"threshold_uncertainty_score":0.8594621,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004719417544903157,"score_gpt":0.1936632410765128,"score_spread":0.1889438235316097,"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."}}