{"id":"W2047788433","doi":"10.1021/jp0404596","title":"What Is an Atom in a Molecule?","year":2005,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":407,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Molecule; Atom (system on chip); Noumenon; Atoms in molecules; Epistemology; Chemistry; Theoretical physics; Physics; Philosophy; Computer science; Quantum mechanics","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":[0.001194497,0.0003624964,0.000611611,0.001206364,0.001851362,0.002719085,0.0007552937,0.002586462,0.006139136],"category_scores_gemma":[0.003117386,0.000234312,0.0003804718,0.001274118,0.009645028,0.006870122,0.00114118,0.002127431,0.002866533],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00113166,"about_ca_system_score_gemma":0.0008904333,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001441156,"about_ca_topic_score_gemma":0.0008846055,"domain_scores_codex":[0.9992058,0.0003053754,0.00003446017,0.0001257981,0.0002559418,0.0000726478],"domain_scores_gemma":[0.9994519,0.0003050265,0.00004917975,0.00005853639,0.0001019086,0.00003347042],"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":[0.00001381997,0.000004304793,0.00008530693,0.0001127942,0.00000572696,0.00005452333,0.000557726,0.0001018574,0.0004390668,0.9833763,0.004804752,0.0104438],"study_design_scores_gemma":[0.000002546503,0.00001351981,0.0001323676,0.00009628948,0.000004835337,0.0001216363,0.0003339579,0.0002963041,0.0003918416,0.9371201,0.06147557,0.00001107096],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.04043736,0.1844307,0.1337245,0.1501052,0.01946798,0.0001145181,0.0009743645,0.0003420702,0.4704033],"genre_scores_gemma":[0.8038169,0.07921897,0.0344426,0.02101092,0.007085001,0.000165584,0.0005193556,0.0001366228,0.05360404],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006139136,"threshold_uncertainty_score":0.02053744,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01262807729644978,"score_gpt":0.2779786020614582,"score_spread":0.2653505247650085,"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."}}