{"id":"W2995393261","doi":"10.1039/c9cp06161d","title":"Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder","year":2019,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":66,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Lawrence Berkeley National Laboratory; Australian Research Council; Office of Science; Canadian Light Source; Basic Energy Sciences; Queensland Cyber Infrastructure Foundation; Paul Scherrer Institut; Pacific Northwest National Laboratory; National Energy Research Scientific Computing Center; Battelle; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; Argonne National Laboratory; U.S. Department of Energy; National Science Foundation","keywords":"Potassium; Sodium; Ion; Chemistry; Inorganic chemistry; Crystallography; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"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":[0.0000264876,0.0002920876,0.0003610213,0.00000588595,0.0001251753,0.00003911708,0.0002095984,0.00006605286,0.0009763728],"category_scores_gemma":[0.00002150512,0.00021371,0.000177405,0.0001595141,0.0002355078,0.0001089648,0.0001351628,0.0005020637,0.00001763582],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000303602,"about_ca_system_score_gemma":0.00002979007,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001322992,"about_ca_topic_score_gemma":1.066112e-7,"domain_scores_codex":[0.9986864,0.00001683349,0.0002359236,0.0004097279,0.0003455327,0.0003055481],"domain_scores_gemma":[0.9988422,0.0004627238,0.0002484185,0.000294187,0.00007479867,0.00007765777],"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":[0.00004566963,0.0002264016,0.0006370159,0.00007655002,0.00009619103,1.546996e-7,0.0001321152,0.00003021141,0.9880949,0.009024949,0.001027098,0.0006087374],"study_design_scores_gemma":[0.0004007008,0.00002181938,0.0002156624,0.00007154101,0.00004167904,4.812874e-7,0.0001825397,0.00190137,0.9725428,0.02408385,0.0002847003,0.0002529123],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9923584,0.00001968155,0.00007927033,0.0001922789,0.00004348411,0.00014856,0.0007481778,0.0000291711,0.006380963],"genre_scores_gemma":[0.9979544,0.000001004352,0.00007404805,0.00007068119,0.001271338,0.00001977309,0.0005409374,0.00002455516,0.00004325231],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01555216,"threshold_uncertainty_score":0.9999369,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01474769068315268,"score_gpt":0.2602026938181667,"score_spread":0.245455003135014,"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."}}