{"id":"W2025193815","doi":"10.1021/jp073213k","title":"Everyman's Derivation of the Theory of Atoms in Molecules","year":2007,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":107,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Atoms in molecules; Atom (system on chip); Quantum; Heuristic; Quantum mechanics; Schrödinger equation; Extension (predicate logic); Classical mechanics; Molecule; Theoretical physics; Physics; Chemistry; Mathematics; Computer science","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":[0.0008203474,0.0004397534,0.0006071734,0.0007763134,0.001180611,0.001082032,0.001522127,0.001350587,0.006098365],"category_scores_gemma":[0.001236921,0.0003260165,0.000705614,0.00058347,0.003069415,0.00252175,0.001418668,0.002020753,0.001527731],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001239605,"about_ca_system_score_gemma":0.001724475,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002402137,"about_ca_topic_score_gemma":0.001752228,"domain_scores_codex":[0.9995902,0.0000977658,0.00002170185,0.00005530947,0.0001984624,0.00003649226],"domain_scores_gemma":[0.9997352,0.0001061166,0.00001835027,0.00003914212,0.00008172308,0.00001940823],"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":[0.000001377176,0.000001555896,0.00001034576,0.00001559018,0.000001434332,0.00001764105,0.00004835823,0.0006602745,0.0001134605,0.9966965,0.0007015436,0.001732089],"study_design_scores_gemma":[0.000004135466,0.000006634738,0.00002662857,0.00001797792,0.000001652831,0.00003573404,0.00001621588,0.003959791,0.0002094395,0.9731545,0.02256146,0.000005782464],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.01651167,0.009214572,0.6456428,0.01274458,0.002527717,0.0001285587,0.0005487204,0.0002092226,0.3124722],"genre_scores_gemma":[0.5291261,0.0108507,0.3438416,0.006632393,0.001448972,0.000430617,0.0003969172,0.0002834059,0.1069893],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006098365,"threshold_uncertainty_score":0.02040106,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00876652764081494,"score_gpt":0.2475054873635837,"score_spread":0.2387389597227687,"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."}}