{"id":"W2322519348","doi":"10.1021/jp207768e","title":"Reactivity Descriptors for Borohydride Interaction with Metal Surfaces","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":52,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Adsorption; Borohydride; Chemistry; Reactivity (psychology); Metal; Transition metal; Density functional theory; Molecule; Catalysis; Physical chemistry; Molecular orbital; Computational chemistry; Inorganic chemistry; Binding energy; Atomic physics; Organic chemistry","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":[0.000472029,0.0001025498,0.0002192968,0.000007774782,0.00006694697,0.00002323607,0.0002243671,0.00002596402,0.0001324064],"category_scores_gemma":[0.00005598498,0.00005418211,0.00008236583,0.00004029874,0.00008279405,0.0003227759,0.00002564486,0.00009659607,0.000009265847],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003291119,"about_ca_system_score_gemma":0.00003906238,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003869085,"about_ca_topic_score_gemma":0.000001568297,"domain_scores_codex":[0.9993694,0.0000507061,0.0001828178,0.00007817715,0.0001759662,0.0001428808],"domain_scores_gemma":[0.9992372,0.0001093776,0.0003371668,0.0001378712,0.000114162,0.00006417219],"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":[0.0005928358,0.0001196145,0.000004415224,0.00002402721,0.00002690999,0.000004842941,0.0007727398,0.0000363027,0.9982132,0.000009253337,0.0001081808,0.00008767379],"study_design_scores_gemma":[0.0002175702,0.0001730459,0.00001996795,0.00002462714,0.0001169248,0.0000911546,0.0001936832,0.00004008548,0.9980265,0.0003654319,0.0006560496,0.00007488338],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989623,0.00001725922,0.0003518318,0.0000283705,0.000125805,0.00006075422,0.000008826481,0.00001121419,0.0004336131],"genre_scores_gemma":[0.9991975,0.000002374786,0.0003292474,0.00001351513,0.0003700417,0.000002935408,6.932536e-7,0.00001077341,0.00007291172],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005790566,"threshold_uncertainty_score":0.2209482,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03257669152055413,"score_gpt":0.2573240111389812,"score_spread":0.224747319618427,"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."}}