{"id":"W4230068028","doi":"10.1039/b202567c","title":"Gallium(iii) hydration in aqueous solution of perchlorate, nitrate and sulfate. Raman and 71-Ga NMR spectroscopic studies and ab initio molecular orbital calculations of gallium(iii) water clustersElectronic supplementary information (ESI) available: Unscaled HF/6-31+G* frequencies, intensities and force constants of the hexaaqua-Ga(iii) ion, octadeca-aqua gallium(iii) and octadeca-aqua gallium(iii) cluster. See http://www.rsc.org/suppdata/cp/b2/b202567c/","year":2002,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Crystal Structures and Properties","field":"Materials Science","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"St. Mary's University; Saint Mary's University","funders":"","keywords":"Gallium; Perchlorate; Chemistry; Raman spectroscopy; Aqueous solution; Coordination sphere; Analytical Chemistry (journal); Ion; Inorganic chemistry; Physical chemistry; Organic chemistry","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":[0.0003319472,0.0007083687,0.001186012,0.00007427099,0.0002863298,0.0001840373,0.000306833,0.0002791305,0.00008063919],"category_scores_gemma":[0.00007918106,0.0005481619,0.0001305854,0.0003407504,0.002140137,0.001036723,0.0006052217,0.0005739034,0.000002386004],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002185519,"about_ca_system_score_gemma":0.000112972,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006851865,"about_ca_topic_score_gemma":0.00008320289,"domain_scores_codex":[0.9963441,0.0001314531,0.001300612,0.0007956958,0.000662074,0.000766082],"domain_scores_gemma":[0.9980419,0.0002439222,0.0005839391,0.0005080856,0.0004113084,0.0002107985],"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":[0.0005873931,0.0001445237,0.0003698195,0.001235877,0.0001338906,0.000004077829,0.004211222,0.0001347347,0.9924226,0.0003829476,0.0002933413,0.00007960913],"study_design_scores_gemma":[0.003391421,0.0002239011,0.000255184,0.0003789113,0.0002606323,0.00005028805,0.002103399,0.01343351,0.9753686,0.003876299,0.0000400223,0.0006178111],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964869,0.001400566,0.0002379792,0.0003908247,0.00005399794,0.0008199872,0.0002997154,0.00004145005,0.0002686054],"genre_scores_gemma":[0.9981996,0.0008562068,0.0001547678,0.0001259281,0.0001298842,0.00005037475,0.0003578273,0.00003988437,0.00008556869],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01705394,"threshold_uncertainty_score":0.999697,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01584406059673192,"score_gpt":0.2270455863499375,"score_spread":0.2112015257532056,"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."}}