{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00007962397,0.0004470577,0.000655335,0.00001930419,0.0001090076,0.00005533862,0.0002418847,0.0001036686,0.0001434886],"category_scores_gemma":[0.000007893384,0.0004099496,0.0001336418,0.0002505704,0.0003798897,0.0003321555,0.0001260209,0.0004960959,0.0000107399],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009059729,"about_ca_system_score_gemma":0.00003388669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003715169,"about_ca_topic_score_gemma":0.00000202084,"domain_scores_codex":[0.9977294,0.00005096275,0.0005604907,0.0007230647,0.0003889607,0.0005471322],"domain_scores_gemma":[0.9991091,0.0000721154,0.0001383325,0.0003854484,0.00008189835,0.0002130752],"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":[0.0001840764,0.002145378,0.0007544464,0.00005967056,0.00009275828,0.000005375288,0.002554422,0.0001045327,0.9930537,0.0002308377,0.00004668595,0.0007681456],"study_design_scores_gemma":[0.002310882,0.0001738166,0.0001140514,0.00003979497,0.00009842007,0.000001151741,0.0007813263,0.005687689,0.9769604,0.01337393,0.000008757048,0.0004498251],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961258,0.00001871091,0.0001142026,0.00008916268,0.00001912754,0.0003728843,0.00001771312,0.00005548877,0.003186921],"genre_scores_gemma":[0.9987069,0.000002211213,0.0000878674,0.00005892936,0.000644469,0.0001087319,0.0003164891,0.00004043227,0.00003394152],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01609331,"threshold_uncertainty_score":0.9998353,"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."}}