{"id":"W2020229860","doi":"10.1021/jp055856a","title":"Gold Cluster Carbonyls:  Vibrational Spectroscopy of the Anions and the Effects of Cluster Size, Charge, and Coverage on the CO Stretching Frequency","year":2005,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":111,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"Stichting voor Fundamenteel Onderzoek der Materie","keywords":"Chemistry; Cluster (spacecraft); Dissociation (chemistry); Gold cluster; Spectroscopy; Infrared spectroscopy; Cationic polymerization; Molecular vibration; Cluster size; Chemical physics; Photochemistry; Analytical Chemistry (journal); Crystallography; Physical chemistry; Computational chemistry; Density functional theory; Molecule; Electronic structure","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":[0.0002172557,0.0003164264,0.0002038666,0.0002231451,0.0002471068,0.0002346832,0.0002957588,0.0003222524,0.001166078],"category_scores_gemma":[0.0004806407,0.0001159566,0.0001198872,0.000159337,0.000452246,0.0002032889,0.0002608327,0.0003204788,0.0001184893],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002160796,"about_ca_system_score_gemma":0.0001326471,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001204122,"about_ca_topic_score_gemma":0.001225426,"domain_scores_codex":[0.9998133,0.00001930103,0.000005769554,0.00004633715,0.00007745373,0.00003792981],"domain_scores_gemma":[0.9997899,0.00007421104,0.00004571433,0.00001445017,0.00004012267,0.00003553896],"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":[0.0001163553,0.00001010284,0.0005184072,0.00004411599,0.000004026255,0.00003575499,0.0000862953,0.0001381705,0.997795,0.00005881406,0.00002055158,0.001172396],"study_design_scores_gemma":[0.00000763955,0.0001658793,0.006265712,0.000006240133,0.00001032099,0.0001344358,0.00006007247,0.001483276,0.9913473,0.00004684516,0.0004646711,0.000007618996],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9984541,0.0002811069,0.0005635699,0.00003018823,0.000004450666,0.000002517653,0.00002711103,0.000007320336,0.0006295891],"genre_scores_gemma":[0.9983328,0.0001538115,0.00085242,0.00001524173,0.000004300264,0.000005083299,0.00007167196,0.000006689088,0.0005579851],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001204122,"threshold_uncertainty_score":0.003900886,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003814676815066339,"score_gpt":0.2306862464000384,"score_spread":0.2268715695849721,"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."}}