{"id":"W2015173882","doi":"10.1038/ncomms7662","title":"In situ X-ray diffraction monitoring of a mechanochemical reaction reveals a unique topology metal-organic framework","year":2015,"lang":"en","type":"article","venue":"Nature Communications","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":385,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; McGill University","funders":"Fonds de recherche du Québec – Nature et technologies; Centre in Green Chemistry and Catalysis; Natural Sciences and Engineering Research Council of Canada; McGill University","keywords":"Mechanochemistry; Mechanosynthesis; Metastability; Topology (electrical circuits); Materials science; Powder diffraction; Reactivity (psychology); Recrystallization (geology); In situ; Metal-organic framework; Diffraction; Ball mill; Nanotechnology; Crystallography; Chemistry; Organic chemistry; Physics; Metallurgy","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":["research_integrity"],"consensus_categories":[],"category_scores_codex":[0.0005317914,0.0002053428,0.0003968339,0.0001504586,0.000114667,0.00002002137,0.001040769,0.001179232,0.0001459937],"category_scores_gemma":[0.002269656,0.0002120555,0.0001139938,0.0007066097,0.0001311299,0.0001971789,0.0002929033,0.00235659,0.00002890595],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002749959,"about_ca_system_score_gemma":0.0001051997,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005606118,"about_ca_topic_score_gemma":0.00006864948,"domain_scores_codex":[0.9984103,0.0001674985,0.0005920248,0.0003232676,0.0002618174,0.000245071],"domain_scores_gemma":[0.9957611,0.001010429,0.0003771351,0.002461065,0.0002559457,0.0001343047],"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":[0.00001751807,0.000354867,0.001253025,0.00002230656,0.00004807852,6.412289e-7,0.0003460248,0.000002236185,0.964568,0.03252185,0.0003619957,0.0005035199],"study_design_scores_gemma":[0.0005125094,0.00002781405,0.003988937,0.0003991086,0.0001871052,0.00003265804,0.002179893,0.0001474213,0.9117407,0.05166458,0.02863218,0.000487044],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9617397,0.008214462,0.003365839,0.01260879,0.0005279998,0.0004215338,0.00003011585,0.0002464297,0.0128451],"genre_scores_gemma":[0.9644945,0.0009133135,0.03379387,0.0001042054,0.0001792514,0.0001617219,0.00005218406,0.00003785249,0.0002630568],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05282719,"threshold_uncertainty_score":0.999945,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02993394412303433,"score_gpt":0.3157588641550307,"score_spread":0.2858249200319964,"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."}}