{"id":"W2050286910","doi":"10.1016/s1386-1425(01)00439-5","title":"Vibrational spectra and normal coordinate analysis of a weak ligand complex, Co(p-DMABA)2Cl2 · 2H2O","year":2001,"lang":"en","type":"article","venue":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"National Research Council Canada","keywords":"Raman spectroscopy; Crystal structure; Chemistry; Diffraction; Infrared spectroscopy; Ligand (biochemistry); Molecule; Infrared; Powder diffraction; Single crystal; Crystallography; Physics; Optics; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000156819,0.0006081134,0.0008738094,0.000786829,0.0003144622,0.0002114731,0.0003337042,0.0002401691,0.0009503123],"category_scores_gemma":[0.00004245317,0.000632559,0.000650453,0.001296486,0.0005086883,0.000191803,0.0001573805,0.0004371683,0.00000438159],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006637607,"about_ca_system_score_gemma":0.00008471231,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009702196,"about_ca_topic_score_gemma":0.0001526794,"domain_scores_codex":[0.9968593,0.00007926962,0.0007216816,0.0009951602,0.0005630343,0.000781615],"domain_scores_gemma":[0.9984192,0.00006513442,0.0003383087,0.0006896778,0.0001181712,0.0003695641],"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":[0.0003626313,0.0003196446,0.002128091,0.00005643465,0.002595619,0.0002015104,0.0001125467,0.00001123581,0.9904779,0.003339306,0.0003114072,0.00008372662],"study_design_scores_gemma":[0.001265491,0.0002747063,0.002971697,0.00004922975,0.001868942,0.000364473,0.0001896932,0.001237187,0.9806603,0.0006248861,0.009791034,0.0007024244],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9529613,0.0007925974,0.02052505,0.001050247,0.00006318244,0.0002383643,0.0002783643,0.0001276512,0.02396323],"genre_scores_gemma":[0.9945359,0.0007269732,0.003453617,0.0002692881,0.00009439525,0.00003221487,0.0007196534,0.00006393834,0.000104038],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04157457,"threshold_uncertainty_score":0.9999629,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00891673402345107,"score_gpt":0.2615217082059573,"score_spread":0.2526049741825063,"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."}}