{"id":"W2950891401","doi":"10.1002/chin.200308002","title":"Structure and Dynamics of ND<sub>3</sub>BF<sub>3</sub> in the Solid and Gas Phases: A Combined NMR, Neutron Diffraction, and ab initio Study.","year":2003,"lang":"en","type":"article","venue":"ChemInform","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Guelph","funders":"","keywords":"Chemistry; Ab initio; Humanities; Art","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":[],"consensus_categories":[],"category_scores_codex":[0.0001640079,0.0003096858,0.0003678644,0.00007419791,0.0001726158,0.00009074759,0.0001558622,0.0002803188,0.00002643588],"category_scores_gemma":[0.0000718524,0.0002413383,0.00004551092,0.0002144672,0.0001977513,0.0002045343,0.00007818927,0.0005613482,8.007484e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009666399,"about_ca_system_score_gemma":0.00006627808,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001897487,"about_ca_topic_score_gemma":0.0000650412,"domain_scores_codex":[0.9986834,0.000003956114,0.0004720805,0.0002982607,0.0002134354,0.0003288667],"domain_scores_gemma":[0.9991019,0.0001500678,0.0002210426,0.0003500709,0.00008065813,0.00009626349],"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":[0.0002736902,0.0005663007,0.006802857,0.0006283494,0.0002860861,0.00004388612,0.006760032,0.000007693269,0.9533877,0.001105948,0.0007930461,0.02934438],"study_design_scores_gemma":[0.004407973,0.0002215491,0.002699444,0.0001169038,0.0001674235,0.0003336548,0.006908619,0.0007512303,0.9819357,0.001801823,0.0002317041,0.0004239307],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890603,0.0003993747,7.852963e-7,0.00008732463,0.00006868857,0.0002217356,0.00003013148,0.00003027411,0.01010132],"genre_scores_gemma":[0.9989496,0.0007493249,0.000005761276,0.00007817333,0.00004726067,0.0000167999,0.00006701925,0.00002850547,0.00005758781],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02892045,"threshold_uncertainty_score":0.9841489,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005521660803147255,"score_gpt":0.2103918385405036,"score_spread":0.2048701777373563,"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."}}