{"id":"W2028762490","doi":"10.1021/jp309283y","title":"Sensitivity of Structural and Electronic Properties of Gold–Thiolate Nanoclusters to the Atomic Composition: A Comparative X-ray Study of Au<sub>19</sub>(SR)<sub>13</sub> and Au<sub>25</sub>(SR)<sub>18</sub>","year":2012,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Nanocluster Synthesis and Applications","field":"Materials Science","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"","keywords":"Nanoclusters; Extended X-ray absorption fine structure; Electronic structure; Cluster (spacecraft); Crystallography; Chemistry; Metal; Materials science; Ab initio; Bond length; X-ray photoelectron spectroscopy; Nanotechnology; Absorption spectroscopy; Crystal structure; Computational chemistry; Nuclear magnetic resonance; Physics","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":[0.001589863,0.0005057622,0.001151269,0.00007108264,0.0003873305,0.00007025315,0.0005798618,0.0001199948,0.000004110656],"category_scores_gemma":[0.00007520233,0.0003200661,0.0002348217,0.0003645029,0.0007789032,0.0004277269,0.000402975,0.0005350406,0.000006609356],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002449801,"about_ca_system_score_gemma":0.000281055,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005274802,"about_ca_topic_score_gemma":0.0000592795,"domain_scores_codex":[0.9963958,0.000684629,0.001041476,0.0003954411,0.0007776347,0.0007050005],"domain_scores_gemma":[0.996693,0.0006105016,0.001332505,0.0006276882,0.0004112214,0.000325051],"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":[0.000683738,0.0005921361,0.0002827847,0.0002277038,0.0002019552,0.000002025561,0.009282493,0.0005673942,0.987519,0.0000331225,0.00009281037,0.0005148942],"study_design_scores_gemma":[0.001082118,0.0004201917,0.007194157,0.000270462,0.0004357558,0.000153485,0.001987088,0.0008245088,0.9871601,0.0001243899,0.000005907769,0.0003418776],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998165,0.0003965628,0.0001300637,0.0003365461,0.00008428205,0.0007593003,0.00006904338,0.00001941293,0.00003984814],"genre_scores_gemma":[0.9993495,0.00005973678,0.00002147927,0.00004895632,0.0004499243,0.00002675469,0.000003521889,0.00003673057,0.000003366848],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007295405,"threshold_uncertainty_score":0.9999251,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01866441769244625,"score_gpt":0.2513334485629949,"score_spread":0.2326690308705487,"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."}}