{"id":"W2297045069","doi":"10.1007/s10450-016-9765-1","title":"Adsorption of hydrogen and methane on intrinsic and alkali metal cations-doped Zn2(NDC)2(diPyTz) metal–organic framework using GCMC simulations","year":2016,"lang":"en","type":"article","venue":"Adsorption","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"University of Ottawa","keywords":"Alkali metal; Adsorption; Hydrogen; Inorganic chemistry; Chemistry; Metal; Methane; Hydrogen storage; Doping; Lithium (medication); Metal-organic framework; Physical chemistry; Materials science; 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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003355924,0.0003108238,0.0004514903,0.0001966543,0.0001396197,0.00004008238,0.0001689596,0.0003606668,0.001711809],"category_scores_gemma":[0.0006610805,0.0002578689,0.0001169075,0.00042136,0.0001890892,0.0003195649,0.00009837286,0.0002496521,0.00005100859],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001021044,"about_ca_system_score_gemma":0.0000575821,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006254184,"about_ca_topic_score_gemma":0.00002571444,"domain_scores_codex":[0.9980592,0.0001080363,0.0006175036,0.0005873354,0.0003338041,0.0002941249],"domain_scores_gemma":[0.99779,0.0007842928,0.000422744,0.0006979534,0.0001453079,0.0001596798],"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":[0.00002942888,0.0001438224,0.0006516378,0.00004986928,0.000155505,3.121781e-7,0.0001389679,0.00004578524,0.9766772,0.01052965,0.00001051746,0.01156731],"study_design_scores_gemma":[0.0007789088,0.00006308983,0.002417906,0.0003845603,0.0006715235,0.00003063841,0.000143656,0.002031422,0.9702555,0.02196768,0.0007592353,0.0004959191],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.984592,0.0007234558,0.01336697,0.0005689137,0.00006703379,0.0002648235,0.0001010228,0.00009417152,0.000221612],"genre_scores_gemma":[0.995473,0.0003851903,0.003415904,0.00007336624,0.0001976525,0.0000416411,0.00005310167,0.00006178069,0.0002983744],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01143803,"threshold_uncertainty_score":0.9999874,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02551763622748768,"score_gpt":0.2688057810964463,"score_spread":0.2432881448689586,"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."}}