{"id":"W2949718367","doi":"10.1021/jp0636219","title":"Geometries and Electronic Properties of the Tungsten-Doped Germanium Clusters:  WGe<i><sub>n</sub></i> (<i>n</i> = 1−17)","year":2006,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":80,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"","keywords":"Hexagonal prism; Germanium; Tetragonal crystal system; Square antiprism; Density functional theory; Fullerene; HOMO/LUMO; Cluster (spacecraft); Binding energy; Crystallography; Atom (system on chip); Molecule; Doping; Materials science; Band gap; Chemistry; Atomic physics; Computational chemistry; Crystal structure; Hexagonal crystal system; Physics; Silicon","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":[0.0001273597,0.0002255843,0.0003898982,0.0000119568,0.0001574862,0.00002236461,0.0003949202,0.0000274125,0.000003895093],"category_scores_gemma":[0.00001123278,0.0001219233,0.0002404972,0.0002373288,0.0004981789,0.0001626538,0.0002274023,0.0005091821,0.000001320189],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004238672,"about_ca_system_score_gemma":0.00006736902,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001141714,"about_ca_topic_score_gemma":4.968476e-7,"domain_scores_codex":[0.9988037,0.00003236852,0.0003729154,0.0001275655,0.0003392234,0.0003241794],"domain_scores_gemma":[0.9988282,0.0001514415,0.0005269626,0.0002590608,0.0001862394,0.00004809762],"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":[0.0000841163,0.0001784109,0.00009995988,0.00005916485,0.0001270456,2.709075e-7,0.0001955567,0.001611984,0.9966358,0.0002709104,0.0005318875,0.0002048799],"study_design_scores_gemma":[0.0004696227,0.0000405094,0.00008743569,0.00008887525,0.0001598664,0.0000076986,0.0002878255,0.00007180133,0.9794449,0.01898021,0.0002193764,0.0001418633],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995743,0.0005480156,0.0002717509,0.0003073733,0.00001697876,0.0000967845,0.00001026513,0.000007123034,0.002998648],"genre_scores_gemma":[0.9988393,0.00001564563,0.000003971802,0.00003940984,0.0009331882,0.000004429209,0.000001228033,0.00002096487,0.0001418545],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0187093,"threshold_uncertainty_score":0.4971888,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004724033022181679,"score_gpt":0.1922118359503033,"score_spread":0.1874878029281216,"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."}}