{"id":"W1472177545","doi":"10.3233/jcm-2007-75-611","title":"Doping-induced structure and property variations in alkali-cluster halides: Li13F & 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006358387,0.00009738689,0.000195352,0.000214658,0.00009847868,0.00005196428,0.0001152871,0.00007797773,0.00002259169],"category_scores_gemma":[0.0001823418,0.00006596258,0.00002710164,0.0003120161,0.00005671713,0.0002136864,0.00004031271,0.0003136391,1.308739e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004418811,"about_ca_system_score_gemma":0.00009007604,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002672545,"about_ca_topic_score_gemma":0.000003626128,"domain_scores_codex":[0.9991081,0.00003385936,0.0003870311,0.0001265689,0.0002017651,0.0001426123],"domain_scores_gemma":[0.9993539,0.0003673392,0.0001165498,0.00004110478,0.00006443058,0.00005663415],"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":[0.00002005438,0.00004144269,0.00790381,0.000114798,0.00004130452,0.00003582223,0.003275346,0.9050597,0.07499009,0.001605952,0.00002809844,0.006883604],"study_design_scores_gemma":[0.001612352,0.0001074009,0.03213508,0.0006297649,0.00002372647,0.003416775,0.0002630681,0.9432046,0.003657382,0.01301037,0.001503734,0.0004357366],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9485368,0.0005182542,0.0501172,0.0003819623,0.0002307369,0.00002660385,9.509166e-7,0.000007022971,0.0001805067],"genre_scores_gemma":[0.6583567,0.00005884257,0.341461,0.000023709,0.00007237802,4.869765e-7,3.579752e-7,0.00000450612,0.00002203976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2913438,"threshold_uncertainty_score":0.2689876,"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."}}