{"id":"W4283273701","doi":"10.1021/acs.jpcc.2c02496","title":"NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na<sup>+</sup> Siting and the Local Structure of Na<sup>+</sup> Sites in Ferrierites","year":2022,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Akademie Věd České Republiky; Grantová Agentura České Republiky","keywords":"Cationic polymerization; Chemistry; Microporous material; Ferrierite; Aluminosilicate; Crystallography; Nuclear magnetic resonance spectroscopy; Ring (chemistry); Ion exchange; Spectroscopy; Zeolite; Catalysis; Sorption; Inorganic chemistry; Ion; Physical chemistry; Stereochemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009352223,0.0001529965,0.0001213936,0.0002842558,0.0002097519,0.0002031852,0.00021458,0.0002624034,0.002119927],"category_scores_gemma":[0.0001702179,0.0001601787,0.0001007443,0.0002195632,0.0002540222,0.0002384303,0.0001257559,0.0002627837,0.000367937],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001785496,"about_ca_system_score_gemma":0.0001488593,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002260933,"about_ca_topic_score_gemma":0.004289585,"domain_scores_codex":[0.9999347,0.000007277984,0.000002906734,0.00002412376,0.00001978863,0.00001122873],"domain_scores_gemma":[0.9998831,0.00002419633,0.00003048901,0.000008763398,0.00003949689,0.00001395433],"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":[0.00006705832,0.000003924556,0.001109514,0.00005182824,0.000004442726,0.00005931775,0.00005609968,0.0002278364,0.9968305,0.0001481807,0.0000687193,0.001372671],"study_design_scores_gemma":[0.00001063442,0.00006973296,0.0156895,0.00001708976,0.00001811412,0.000342766,0.000317337,0.004291091,0.9763914,0.0001133262,0.002728095,0.00001092893],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9855177,0.001030074,0.007265538,0.0001078927,0.00001426791,0.00001431768,0.0007529175,0.0001329283,0.005164304],"genre_scores_gemma":[0.9902291,0.000670389,0.006564258,0.00004645648,0.00001160919,0.00001994615,0.000434821,0.00003007175,0.001993367],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002260933,"threshold_uncertainty_score":0.00709188,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007164595687591236,"score_gpt":0.242757787774031,"score_spread":0.2355931920864398,"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."}}