{"id":"W1509485414","doi":"10.1002/0471220418.ch5","title":"Simple Hückel Molecular Orbital Theory","year":2000,"lang":"en","type":"other","venue":"","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Simple (philosophy); Hückel method; Molecular orbital; Fragment molecular orbital; Physics; Statistical physics; Theoretical physics; Computational chemistry; Chemistry; Quantum mechanics; Philosophy; Epistemology; Molecule","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":[0.0004063252,0.0004722272,0.0009088182,0.001191236,0.001025591,0.001550236,0.001716707,0.001016556,0.0120661],"category_scores_gemma":[0.0008471273,0.0002156856,0.0004793404,0.001283106,0.001189728,0.001955864,0.0008797962,0.001110726,0.003955672],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006553577,"about_ca_system_score_gemma":0.0007707499,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00128451,"about_ca_topic_score_gemma":0.001010728,"domain_scores_codex":[0.9996935,0.00005149436,0.000009565079,0.00003150839,0.000178752,0.00003522038],"domain_scores_gemma":[0.9998413,0.00005064658,0.00001110414,0.00003137235,0.0000498513,0.0000157258],"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":[0.000003684996,0.000004261088,0.00002360244,0.00004449494,0.0000034493,0.00002515418,0.00002040784,0.004567143,0.0001934063,0.9845921,0.002912635,0.007609698],"study_design_scores_gemma":[0.000005546733,0.00001446166,0.00008369252,0.00004042813,0.000003763368,0.000062959,0.00002136276,0.05957748,0.0003573881,0.9128711,0.02694459,0.00001714478],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.02396174,0.01312509,0.4569467,0.002461005,0.001723294,0.0001454087,0.001076489,0.0007480723,0.4998122],"genre_scores_gemma":[0.5695689,0.01879181,0.1920907,0.002380631,0.001669196,0.0005561088,0.001853282,0.0005692139,0.2125202],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.0120661,"threshold_uncertainty_score":0.0403651,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005338084197558403,"score_gpt":0.2360965534978628,"score_spread":0.2307584693003044,"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."}}