{"id":"W2599858903","doi":"10.1039/c7cp00691h","title":"Revisiting the definition of local hardness and hardness kernel","year":2017,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Energetic Materials and Combustion","field":"Engineering","cited_by":45,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Consejo Nacional de Ciencia y Tecnología, Guatemala; Natural Sciences and Engineering Research Council of Canada; Consejo Nacional de Ciencia y Tecnología","keywords":"Kernel (algebra); Electrophile; Mathematics; Space (punctuation); Electron; Mathematical analysis; Pure mathematics; Chemistry; Physics; Quantum mechanics; Organic chemistry; Computer science","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":[],"consensus_categories":[],"category_scores_codex":[0.00005115402,0.0001508696,0.000227322,0.000001768209,0.000105549,0.00006495561,0.000240028,0.00005860464,0.000009266438],"category_scores_gemma":[0.00003332816,0.0001213489,0.00007068677,0.00002657175,0.0002559735,0.00009507257,0.0001059514,0.0001566247,0.000003606998],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001937838,"about_ca_system_score_gemma":0.000006740391,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006421561,"about_ca_topic_score_gemma":2.163758e-8,"domain_scores_codex":[0.999372,0.000006416856,0.0001527724,0.0001569473,0.0001492469,0.0001626283],"domain_scores_gemma":[0.9994015,0.00003378481,0.00008269514,0.000377517,0.00004659414,0.00005790464],"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":[0.00000792266,0.00002584447,0.00002239822,0.000510855,0.0000192816,7.242735e-7,0.00004547222,0.0001785484,0.9871983,0.002404771,0.00007616727,0.009509722],"study_design_scores_gemma":[0.0001762087,0.000002193178,0.0002091545,0.00009118843,0.00003418009,0.000001881282,0.00002603859,0.01309909,0.9702583,0.01587221,0.00007975064,0.000149783],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9902866,0.00004382282,0.003396118,0.00008399696,0.00009282832,0.0000394308,0.00001749939,0.00006348835,0.005976181],"genre_scores_gemma":[0.9988502,0.00002018204,0.0001251313,0.000008620786,0.000923569,0.00001373821,0.00002092087,0.0000219492,0.00001567635],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01693998,"threshold_uncertainty_score":0.4948466,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01514895065575763,"score_gpt":0.2188758933891234,"score_spread":0.2037269427333658,"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."}}