{"id":"W2991304157","doi":"10.1021/jacs.9b10251","title":"Controlling the Polymorphism and Topology Transformation in Porphyrinic Zirconium Metal–Organic Frameworks via Mechanochemistry","year":2019,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":115,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"European Social Fund; Defense Threat Reduction Agency; Natural Sciences and Engineering Research Council of Canada; Hrvatska Zaklada za Znanost; European Cooperation in Science and Technology","keywords":"Mechanochemistry; Zirconium; Metal-organic framework; Chemistry; Electron paramagnetic resonance; Porphyrin; Synchrotron; Topology (electrical circuits); Polymorphism (computer science); Crystallography; Adsorption; Inorganic chemistry; Photochemistry; Organic chemistry; Nuclear magnetic resonance","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0004597286,0.0001884628,0.0005109094,0.0000134107,0.00009155208,0.00003479765,0.0005969488,0.0002804672,0.0005467211],"category_scores_gemma":[0.0001219641,0.0001136036,0.0004605155,0.0002937387,0.0003431551,0.00008642438,0.00008844059,0.001627129,0.000005811384],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001200198,"about_ca_system_score_gemma":0.00006549737,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002341985,"about_ca_topic_score_gemma":8.337777e-7,"domain_scores_codex":[0.9985746,0.00004443789,0.0006224336,0.0001896074,0.0002892275,0.0002797285],"domain_scores_gemma":[0.9981337,0.0004981736,0.0008171331,0.0004025601,0.0000639475,0.00008445069],"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":[0.00002906476,0.00005493899,0.000388438,0.00002324157,0.000127789,3.436856e-7,0.0003663989,0.000009965184,0.9966102,0.0002352535,0.000100058,0.002054357],"study_design_scores_gemma":[0.0006149991,0.00001628118,0.000322541,0.00008138512,0.0001439024,0.0001301231,0.001646565,0.001197505,0.9912252,0.003750132,0.0006959581,0.0001753783],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9865566,0.0006169604,0.002322332,0.009970937,0.00008299317,0.00009101781,0.000004348686,0.00001159156,0.0003432285],"genre_scores_gemma":[0.9970897,0.0004082845,0.0008574813,0.001338521,0.0002145068,0.000007859582,0.000001177128,0.00002244994,0.00006001475],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01053311,"threshold_uncertainty_score":0.7069156,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005935919713228191,"score_gpt":0.2236513567174691,"score_spread":0.2177154370042409,"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."}}