{"id":"W3178024496","doi":"10.26434/chemrxiv.12218276.v1","title":"General Chemistry Without Orbitals","year":2020,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Universidad de Costa Rica","keywords":"Quantum chemistry; Molecular orbital theory; Atomic orbital; Molecular orbital; Slater-type orbital; Linear combination of atomic orbitals; General chemistry; Valence bond theory; Quantum mechanics; Theoretical physics; Physics; Chemistry; Computer science; Physical chemistry; 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":[0.0004111189,0.0006056807,0.0004730539,0.0005452688,0.0008436575,0.00134153,0.0005925493,0.000807761,0.01807626],"category_scores_gemma":[0.000878481,0.0002396843,0.0005170881,0.0007026584,0.001558518,0.002409403,0.001396203,0.001414474,0.005460036],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006998125,"about_ca_system_score_gemma":0.000675247,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009761741,"about_ca_topic_score_gemma":0.0008571674,"domain_scores_codex":[0.9997352,0.00006381204,0.00001015656,0.00004312817,0.0001185208,0.00002932238],"domain_scores_gemma":[0.9998608,0.00004007492,0.000008535919,0.0000562692,0.00002309169,0.00001112149],"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":[0.00000225971,0.000002771143,0.00001716568,0.00003236515,0.000001927446,0.000023801,0.00002998116,0.0005502628,0.0003522098,0.986734,0.006503125,0.005750115],"study_design_scores_gemma":[0.00000319496,0.000004717371,0.00004992599,0.00001678151,0.000001885947,0.00008441036,0.00001291407,0.00238146,0.0004273739,0.9084812,0.08853144,0.000004683687],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"other","genre_gemma":"methods","genre_scores_codex":[0.01519812,0.01110925,0.2917853,0.01037573,0.003899787,0.00005361238,0.000884539,0.001571195,0.6651224],"genre_scores_gemma":[0.4248162,0.01923432,0.22945,0.006475653,0.002136478,0.0003120771,0.001538862,0.001710699,0.3143257],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.01807626,"threshold_uncertainty_score":0.06047118,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04217757904558522,"score_gpt":0.30297092817923,"score_spread":0.2607933491336448,"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."}}