{"id":"W2075975871","doi":"10.1002/mrc.1387","title":"Reorientational dynamics of <i>p</i>‐sulfonatocalix[4]arene and of its La(III) complex in water","year":2004,"lang":"en","type":"article","venue":"Magnetic Resonance in Chemistry","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Calixarene; Arrhenius equation; Relaxation (psychology); Deuterium NMR; Solvation; Geminal; Molecular dynamics; Activation energy; Deuterium; Physical chemistry; Nuclear magnetic resonance spectroscopy; Computational chemistry; Crystallography; Chemical physics; Stereochemistry; Molecule; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001005932,0.0001860495,0.0001729623,0.0001088523,0.0001930776,0.000233651,0.0001816736,0.0001742882,0.001527964],"category_scores_gemma":[0.0001878144,0.00009380322,0.00008378668,0.0001313716,0.0002714854,0.0002456213,0.0001093711,0.0003204641,0.0001490952],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000214442,"about_ca_system_score_gemma":0.0001449649,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001262201,"about_ca_topic_score_gemma":0.00105587,"domain_scores_codex":[0.9999583,0.000006142654,0.000001662973,0.00001024833,0.00001048722,0.00001312573],"domain_scores_gemma":[0.999904,0.00002578036,0.00002968518,0.000006083495,0.0000143749,0.00001998618],"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":[0.0002207368,0.00002219583,0.0004039159,0.00004841887,0.00001165733,0.00007717314,0.0001279509,0.001203185,0.995401,0.0003494803,0.00006911582,0.002065308],"study_design_scores_gemma":[0.00003547611,0.0005403326,0.005732895,0.000007025828,0.00001192622,0.00009352247,0.0001593199,0.009311009,0.982105,0.0001644904,0.00180748,0.00003140526],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9991695,0.0001127637,0.0002751212,0.00001587006,0.000003074809,0.000003115014,0.00003130218,0.000008939202,0.0003802918],"genre_scores_gemma":[0.9984692,0.000166123,0.0003534798,0.000008728452,0.000002198661,0.000006300037,0.0001153317,0.000007522789,0.0008711887],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001527964,"threshold_uncertainty_score":0.005111575,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01031143192435339,"score_gpt":0.2658368481767965,"score_spread":0.2555254162524431,"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."}}