{"id":"W2059878982","doi":"10.1039/b003764h","title":"Aluminium(III) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study of aluminium(III) water clusters","year":2000,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":145,"is_retracted":false,"has_abstract":true,"ca_institutions":"Saint Mary's University; Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Perchlorate; Ab initio; Raman spectroscopy; Aqueous solution; Aluminium; Ion; Molecular vibration; Chloride; Analytical Chemistry (journal); Ab initio quantum chemistry methods; Inorganic chemistry; Physical chemistry; Computational chemistry; Molecule","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001081712,0.000230727,0.000131845,0.00007290215,0.0001304209,0.000154257,0.0002428684,0.0001815591,0.0005219374],"category_scores_gemma":[0.0001924375,0.0001453096,0.0001233927,0.00008650493,0.0001784194,0.0001944704,0.0001885875,0.0002381073,0.0001584241],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001591894,"about_ca_system_score_gemma":0.00009080586,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009142286,"about_ca_topic_score_gemma":0.0007014715,"domain_scores_codex":[0.9999431,0.000006033654,0.000002890769,0.00001415102,0.00002398451,0.000009911357],"domain_scores_gemma":[0.9999614,0.000009035554,0.000009000457,0.000002311932,0.00001228069,0.000005912796],"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":[0.0000302945,0.000006425677,0.0001812465,0.00003321277,0.000003941931,0.00002332113,0.00004603167,0.0003787439,0.9981691,0.00005844001,0.00001611977,0.001053031],"study_design_scores_gemma":[0.00001369002,0.0002217892,0.003211114,0.000009326173,0.00001435337,0.00009750792,0.0001072169,0.009328446,0.9856367,0.0001535679,0.001196714,0.000009494483],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9963149,0.0003537991,0.002483299,0.00003338503,0.000007453365,0.00001120561,0.00006781123,0.00004226361,0.0006859431],"genre_scores_gemma":[0.99669,0.0003348729,0.002069716,0.00001507547,0.000003260036,0.000014067,0.0001048594,0.00001252174,0.0007557099],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009142286,"threshold_uncertainty_score":0.001817763,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01003711994067572,"score_gpt":0.2532219437736564,"score_spread":0.2431848238329807,"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."}}