{"id":"W2031683325","doi":"10.1016/s0166-1280(01)00468-7","title":"Well-tempered model core potentials for groups 17 and 18","year":2001,"lang":"en","type":"article","venue":"Journal of Molecular Structure THEOCHEM","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"University of Tokyo; University of Alberta","keywords":"Core (optical fiber); Computer science; Telecommunications","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006172201,0.000389932,0.001029233,0.0007640091,0.001265055,0.001315001,0.001638866,0.001642471,0.009057176],"category_scores_gemma":[0.00154473,0.0002623088,0.000550621,0.0004491876,0.001209795,0.001865373,0.001104269,0.001210741,0.0007106287],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001014364,"about_ca_system_score_gemma":0.001079064,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001958632,"about_ca_topic_score_gemma":0.002917826,"domain_scores_codex":[0.9997682,0.00006690198,0.000007898379,0.00001892103,0.00006545905,0.00007271414],"domain_scores_gemma":[0.9995024,0.0001028435,0.00004453048,0.000110612,0.00008537975,0.0001541615],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001352605,0.00006581192,0.0003203377,0.00004669591,0.00001675294,0.00009845068,0.00009002306,0.0713051,0.002416074,0.9194678,0.002580182,0.003457622],"study_design_scores_gemma":[0.00008053293,0.00006096681,0.0003487068,0.00001317581,0.000008620897,0.00005495541,0.00008110474,0.4676968,0.0009210259,0.5291225,0.001584359,0.00002723392],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8130636,0.0006509757,0.1071076,0.002001353,0.0005127805,0.0001344857,0.0003431528,0.0003698137,0.07581616],"genre_scores_gemma":[0.9761745,0.0001282131,0.008247338,0.0003069316,0.00006076762,0.00009218921,0.0002124318,0.0001586323,0.01461893],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009057176,"threshold_uncertainty_score":0.03029925,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01117316716869678,"score_gpt":0.260789363513464,"score_spread":0.2496161963447672,"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."}}