{"id":"W2802790050","doi":"10.1039/c8sc00971f","title":"An experimental and computational study of CO<sub>2</sub>adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal–organic frameworks featuring open metal sites","year":2018,"lang":"en","type":"article","venue":"Chemical Science","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":60,"is_retracted":false,"has_abstract":true,"ca_institutions":"Atomic Energy (Canada)","funders":"Basic Energy Sciences; Division of Graduate Education; Kommission für Technologie und Innovation; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; U.S. Department of Energy; Office of Science; National Science Foundation","keywords":"Sodalite; Metal; Adsorption; Metal-organic framework; Materials science; Inorganic chemistry; Type (biology); Chemistry; Physical chemistry; Metallurgy; Zeolite; Catalysis; Organic chemistry; Geology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003276796,0.0004569327,0.0007051938,0.0003099568,0.0008953187,0.0005719283,0.001292854,0.001085542,0.004644971],"category_scores_gemma":[0.0007361802,0.0003244328,0.0005884226,0.0005132116,0.0006416484,0.0006517718,0.000308704,0.0007115355,0.0002477641],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001221578,"about_ca_system_score_gemma":0.0008523567,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01939323,"about_ca_topic_score_gemma":0.02903496,"domain_scores_codex":[0.9998893,0.00001786773,0.000003834484,0.00001812805,0.0000263939,0.00004457521],"domain_scores_gemma":[0.9995301,0.0002841986,0.00005118447,0.00004574663,0.00006450483,0.00002430929],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001051844,0.001025248,0.01293508,0.001068441,0.0002014188,0.001019028,0.0002116901,0.9269682,0.02028538,0.01940457,0.006700455,0.0091286],"study_design_scores_gemma":[0.0002028642,0.0002270498,0.004813144,0.00001604943,0.00003721338,0.00008973228,0.0001846397,0.982716,0.008794419,0.001556225,0.001336653,0.00002616628],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9882853,0.0001904426,0.001179576,0.000270807,0.00001943749,0.00001926235,0.001021246,0.00007524115,0.008938666],"genre_scores_gemma":[0.9965656,0.00009377119,0.001767832,0.00006051292,0.0000122825,0.00003095642,0.0006911149,0.00002451743,0.0007533742],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01939323,"threshold_uncertainty_score":0.03856069,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02616781941784074,"score_gpt":0.3126516992246182,"score_spread":0.2864838798067775,"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."}}