{"id":"W1971496836","doi":"10.1016/j.comptc.2013.06.007","title":"Geometric structure of silver clusters with and without adsorbed Cl and Hg","year":2013,"lang":"en","type":"article","venue":"Computational and Theoretical Chemistry","topic":"Nanocluster Synthesis and Applications","field":"Materials Science","cited_by":16,"is_retracted":false,"has_abstract":false,"ca_institutions":"York University","funders":"","keywords":"Chemistry; Cluster (spacecraft); Atom (system on chip); Binding energy; Density functional theory; Crystallography; Cluster size; Shell (structure); Maxima and minima; Atomic physics; Electronic structure; Molecular physics; Physics; Computational 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001241105,0.0004519392,0.0004556033,0.0007810348,0.0009943737,0.0007536386,0.001550403,0.001125538,0.01417694],"category_scores_gemma":[0.0004297723,0.0003018303,0.0003781756,0.0004176248,0.000831331,0.0003781722,0.0004816414,0.0004535615,0.0007974242],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002085345,"about_ca_system_score_gemma":0.001044169,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01054417,"about_ca_topic_score_gemma":0.008460939,"domain_scores_codex":[0.9998577,0.00001476617,0.00000389855,0.0000325858,0.0000366501,0.00005448644],"domain_scores_gemma":[0.9998385,0.00003449929,0.00002581084,0.00002368792,0.00004461701,0.00003292152],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002449781,0.0004523896,0.01220283,0.000584785,0.000153474,0.001304422,0.0006446923,0.5946618,0.1225132,0.2239473,0.02598911,0.01509627],"study_design_scores_gemma":[0.0004731325,0.0007894777,0.0125805,0.00003489693,0.00007287455,0.0003623238,0.001054459,0.8866833,0.0465101,0.04363364,0.007679853,0.0001253258],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9671072,0.0001736503,0.003113468,0.000744694,0.00006271253,0.00002554853,0.001155124,0.0004040133,0.0272136],"genre_scores_gemma":[0.9934793,0.0000503558,0.002619819,0.00007372426,0.0000075315,0.00003082636,0.001025055,0.00006530031,0.002648117],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01417694,"threshold_uncertainty_score":0.04742658,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00382603429535274,"score_gpt":0.2014407918714318,"score_spread":0.1976147575760791,"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."}}