{"id":"W3208028205","doi":"10.26434/chemrxiv.12407117.v1","title":"Interactions between Ultrastable Na4Ag44(SR)30 Nanoclusters and Coordinating Solvents: Uncovering the Atomic-scale Mechanism","year":2020,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Nanocluster Synthesis and Applications","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Chemical Sciences, Geosciences, and Biosciences Division; Natural Sciences and Engineering Research Council of Canada; Argonne National Laboratory; Basic Energy Sciences; National Energy Research Scientific Computing Center; U.S. Department of Energy; Office of Science; Canadian Light Source; National Science Foundation","keywords":"Nanoclusters; Solvation; Aqueous solution; Ligand (biochemistry); Molecule; Chemistry; Solvent; Metal; Atomic units; Chemical physics; Synchrotron; Nanotechnology; Crystallography; Physical chemistry; Materials science; Organic chemistry; Physics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00046228,0.000369627,0.0004841235,0.00005655699,0.0005489867,0.0004685041,0.0007693372,0.0001693967,0.0003421631],"category_scores_gemma":[0.00009644761,0.0003039023,0.0001516689,0.0001460291,0.0001302707,0.0001908437,0.001446755,0.0005390192,0.0001689905],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001371576,"about_ca_system_score_gemma":0.00009510502,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000133393,"about_ca_topic_score_gemma":0.00002140522,"domain_scores_codex":[0.9979075,0.00008685583,0.000524324,0.0008209902,0.00026347,0.0003968428],"domain_scores_gemma":[0.9982966,0.0003607109,0.0004121613,0.0006827931,0.00008237999,0.0001654253],"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":[0.00000813838,0.00004342539,0.0005093966,0.0002644933,0.00006995518,0.000002053585,0.001462066,0.00006124811,0.9933565,0.000772628,0.001476603,0.001973525],"study_design_scores_gemma":[0.000286299,0.00001620378,0.000568163,0.0004003409,0.0001893172,0.000009729685,0.0008543499,0.0007967503,0.9798868,0.00810656,0.008346826,0.0005386787],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9653784,0.0001696299,0.0271369,0.003689761,0.0007800173,0.0007742269,0.00009284464,0.0002304356,0.001747807],"genre_scores_gemma":[0.9949758,0.00005791405,0.003521981,0.000266665,0.0004616201,0.0002713726,0.00003422299,0.0000594246,0.0003510143],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02959741,"threshold_uncertainty_score":0.9999413,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02792557951544539,"score_gpt":0.2640462735624584,"score_spread":0.236120694047013,"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."}}