{"id":"W2108911357","doi":"10.1002/chem.200400404","title":"Structure and Dynamics of Homoleptic Beryllocenes: A Solid‐State <sup>9</sup>Be and <sup>13</sup>C NMR Study","year":2004,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"","keywords":"Chemistry; Density functional theory; NMR spectra database; Crystallography; Carbon-13 NMR satellite; Nuclear magnetic resonance spectroscopy; Nuclear magnetic resonance crystallography; Crystal structure; Chemical shift; Quadrupole; Intramolecular force; Computational chemistry; Fluorine-19 NMR; Spectral line; Physical chemistry; Stereochemistry; Atomic physics; Physics","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002243731,0.0004095967,0.0004197327,0.00004452773,0.0003277492,0.0001407898,0.0004440133,0.00008738227,0.0002076322],"category_scores_gemma":[0.00007265282,0.000388133,0.0001054303,0.0001696693,0.0003039321,0.0001544552,0.0002539796,0.000885299,0.000002135247],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001335911,"about_ca_system_score_gemma":0.00008276854,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006034356,"about_ca_topic_score_gemma":0.000001636666,"domain_scores_codex":[0.9980497,0.00003906803,0.0006872673,0.0005016254,0.0003007259,0.0004216243],"domain_scores_gemma":[0.9985056,0.0000357752,0.0003859976,0.0005503519,0.0001620497,0.0003602622],"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":[0.0005272516,0.002885101,0.02169414,0.002963463,0.001226366,0.002875131,0.02095121,0.1513493,0.7308648,0.0002665638,0.0009920829,0.0634046],"study_design_scores_gemma":[0.04802062,0.002245374,0.007099729,0.005527097,0.002764511,0.04686541,0.09428024,0.204882,0.520054,0.04233047,0.01548788,0.01044271],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948768,0.0002859722,0.002418345,0.0001700092,0.000003515064,0.0001338915,0.0001964437,0.0001042167,0.001810795],"genre_scores_gemma":[0.9958303,0.0003227387,0.002772825,0.00005343058,0.0001987304,0.000007209894,0.00004541894,0.00009789772,0.00067145],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2108109,"threshold_uncertainty_score":0.9998571,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008824205039675919,"score_gpt":0.246534434456572,"score_spread":0.2377102294168961,"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."}}