{"id":"W4405131925","doi":"10.29173/eureka28818","title":"Representing The World Around Us: Applications of Group Representation Theory to Molecular Orbital (MO) Theory","year":2024,"lang":"en","type":"article","venue":"Eureka","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Group (periodic table); Molecular orbital theory; Representation theory; Representation (politics); Group representation; Molecular orbital; Theoretical physics; Physics; Mathematics; Pure mathematics; Quantum mechanics; Molecule; Political science","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":true,"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":[0.0004675082,0.0001413444,0.0001282486,0.0000532858,0.0001444116,0.00005371675,0.0003657391,0.00004895291,0.000839393],"category_scores_gemma":[0.0001699652,0.0001173634,0.0001160924,0.0004046873,0.0001331318,0.0001057589,0.0001294136,0.0002650838,0.00006959093],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006243854,"about_ca_system_score_gemma":0.00002230143,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004832394,"about_ca_topic_score_gemma":0.000002360817,"domain_scores_codex":[0.9987622,0.00005870931,0.0003164525,0.0004187379,0.0002566116,0.0001872992],"domain_scores_gemma":[0.9987044,0.0004659309,0.00008814262,0.0006461981,0.00003883327,0.00005648625],"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":[0.0000561276,0.00009032628,0.0003449604,0.0003361179,0.0001398657,0.00003651528,0.000817948,0.0003255024,0.8843123,0.09364647,0.001927561,0.01796635],"study_design_scores_gemma":[0.0001490543,0.000006901482,0.0000267686,0.0002106848,0.00009505145,0.0000192561,0.001455937,0.0001058397,0.638372,0.05281041,0.3065007,0.0002473443],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.3591217,0.006510756,0.09700986,0.0005934864,0.0004553102,0.0005601863,0.000104134,0.0004699818,0.5351747],"genre_scores_gemma":[0.9562046,0.000008565897,0.0008768993,0.0001742533,0.0003623212,0.0002005927,0.00004457211,0.00003886526,0.04208932],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.597083,"threshold_uncertainty_score":0.9190765,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01137471570131563,"score_gpt":0.294056227723886,"score_spread":0.2826815120225704,"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."}}