{"id":"W1472177545","doi":"10.3233/jcm-2007-75-611","title":"Doping-induced structure and property variations in alkali-cluster halides: Li13F &amp; Li13F2","year":2008,"lang":"en","type":"article","venue":"Journal of Computational Methods in Sciences and Engineering","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ontario Tech University","funders":"","keywords":"Moiety; Chemistry; Alkali metal; Electron affinity (data page); Cluster (spacecraft); Atom (system on chip); Lithium (medication); Ionic bonding; Ionization energy; Halide; Ion; Lithium atom; Metal; Crystallography; Electronegativity; Binding energy; Ionization; Atomic physics; Stereochemistry; Inorganic chemistry; Molecule; Physics; Organic 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":[0.0001505284,0.0001693432,0.000242083,0.0002879625,0.0003722439,0.0004231585,0.0004355857,0.0002837161,0.001955539],"category_scores_gemma":[0.0002807131,0.0001394165,0.0001575495,0.0002487368,0.0003968901,0.000222029,0.000227524,0.0001745472,0.0001167989],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005478018,"about_ca_system_score_gemma":0.0002777101,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002299492,"about_ca_topic_score_gemma":0.003025767,"domain_scores_codex":[0.9999473,0.000008365852,0.000002321249,0.00000669818,0.00001923263,0.00001621778],"domain_scores_gemma":[0.9998991,0.00003336815,0.00002340369,0.00001110834,0.00002222478,0.00001084647],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.003581649,0.0002709235,0.02371481,0.0005621678,0.0001882519,0.001020254,0.0009078061,0.06748141,0.8444728,0.03495781,0.002690048,0.0201521],"study_design_scores_gemma":[0.0003268917,0.001079693,0.02957116,0.00004351267,0.0001152984,0.0004665691,0.0007250548,0.4570324,0.5026523,0.005113315,0.002789536,0.00008432745],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986942,0.0000457231,0.0002013521,0.00002560721,0.000002087367,0.000002255013,0.00003927148,0.00002342327,0.0009660323],"genre_scores_gemma":[0.9995344,0.00002688091,0.0001758461,0.000004388377,0.0000010806,0.000003457513,0.00006282125,0.000008479794,0.0001826816],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002299492,"threshold_uncertainty_score":0.006541908,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03680732588590951,"score_gpt":0.3162155763832559,"score_spread":0.2794082504973464,"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."}}