{"id":"W2001465940","doi":"10.1021/jp031279j","title":"Investigation of Magnetic Shielding in Xenon Difluoride Using Solid-State NMR Spectroscopy and Relativistic Density Functional Theory","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"Alberta Glycomics Centre; University of Alberta","funders":"","keywords":"Xenon; Chemistry; Chemical shift; Electromagnetic shielding; Density functional theory; Anisotropy; Xenon difluoride; Atomic physics; Solid-state nuclear magnetic resonance; Nuclear magnetic resonance spectroscopy; Nuclear magnetic resonance; Physics; Computational chemistry; Physical chemistry; Quantum mechanics","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":[0.0004441885,0.0003398353,0.0004210706,0.000364854,0.0003330476,0.0002821842,0.000671924,0.0004113325,0.000810341],"category_scores_gemma":[0.0003591004,0.0001931715,0.0002384537,0.0003253564,0.0004863027,0.0004558146,0.000326223,0.0003579087,0.0001109832],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005131146,"about_ca_system_score_gemma":0.0005405724,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00245242,"about_ca_topic_score_gemma":0.003176419,"domain_scores_codex":[0.9998471,0.00003899336,0.000006243026,0.00001238582,0.00007436597,0.00002099129],"domain_scores_gemma":[0.9999,0.00004183431,0.00001369406,0.00001333058,0.00002293155,0.000008301417],"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":[0.000629954,0.0002482818,0.004741783,0.001032596,0.0001108955,0.001239352,0.0006165921,0.2852,0.6113929,0.06762362,0.00100097,0.02616316],"study_design_scores_gemma":[0.0000839339,0.0003423708,0.002580617,0.00003469221,0.00002798289,0.0001597937,0.0001644359,0.8470055,0.1441294,0.003809132,0.001618594,0.00004358098],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.960587,0.000847135,0.0330212,0.0001411748,0.00002025616,0.00002978956,0.0001681893,0.0001656979,0.005019545],"genre_scores_gemma":[0.9890724,0.0005817937,0.009654102,0.00001820702,0.000005355273,0.00001965796,0.0001971176,0.00001850513,0.00043292],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00245242,"threshold_uncertainty_score":0.004876316,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01133469422416381,"score_gpt":0.2242742319593154,"score_spread":0.2129395377351516,"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."}}