{"id":"W4255626171","doi":"10.1063/1.4984611","title":"Thermodynamic electrophilicity","year":2017,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":32,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Formalism (music); Statistical physics; Electrophile; Applied mathematics; Computer science; Simple (philosophy); Mathematics; Physics; Chemistry; Epistemology","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":[0.0008002521,0.0006475174,0.0005982632,0.001926847,0.0007612279,0.001788014,0.001047206,0.0006578104,0.003751824],"category_scores_gemma":[0.001919661,0.0001841073,0.0005590506,0.0007039423,0.001805337,0.003558615,0.001848057,0.001273501,0.000654803],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007254955,"about_ca_system_score_gemma":0.0003856338,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003125973,"about_ca_topic_score_gemma":0.0002847079,"domain_scores_codex":[0.9994867,0.00009035017,0.00003507163,0.0001412449,0.0001871508,0.00005950843],"domain_scores_gemma":[0.9995098,0.0001349339,0.00006124388,0.0001129051,0.0001322351,0.00004885578],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00001997379,0.00004370598,0.001017008,0.000184257,0.00003333535,0.00007773293,0.0001698598,0.01212348,0.009830615,0.9503481,0.001713293,0.02443851],"study_design_scores_gemma":[0.0000112827,0.000178099,0.002138941,0.00008938713,0.00003613437,0.0004219248,0.0001332578,0.07169981,0.01680652,0.8670114,0.04134483,0.0001283318],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.3219334,0.01927814,0.4471924,0.003682598,0.003502865,0.0002351723,0.001184953,0.0006415672,0.202349],"genre_scores_gemma":[0.9645495,0.003692205,0.02155315,0.0003223567,0.0005971132,0.0001493618,0.0004076635,0.0002409979,0.008487762],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003751824,"threshold_uncertainty_score":0.01255107,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01104819750957717,"score_gpt":0.2632251845936749,"score_spread":0.2521769870840977,"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."}}