{"id":"W4242942958","doi":"10.21577/0100-4042.20170377","title":"HYBRID ATOMIC ORBITALS IN ORGANIC CHEMISTRY. PART 2: CRITIQUE OF PRACTICAL ASPECTS","year":2019,"lang":"en","type":"article","venue":"Química Nova","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Universidad de Costa Rica","keywords":"Atomic orbital; Chemistry; Computational chemistry; Chemical physics; Theoretical physics; Materials science; Nanotechnology; Physics; Quantum mechanics; Electron","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":[0.00381658,0.0004596717,0.0005138676,0.001732073,0.0008955431,0.001414928,0.001575952,0.001906785,0.001624148],"category_scores_gemma":[0.003657298,0.0002791476,0.0005146104,0.001325076,0.005097579,0.002488359,0.001545797,0.003003857,0.0008745839],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001722757,"about_ca_system_score_gemma":0.001380378,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009346828,"about_ca_topic_score_gemma":0.001583876,"domain_scores_codex":[0.9984416,0.0006390558,0.00008739636,0.00008345887,0.0006988792,0.00004954725],"domain_scores_gemma":[0.9975523,0.001713046,0.0001232911,0.0001169383,0.0004452465,0.0000491295],"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":[0.00004148428,0.00003846128,0.0001722001,0.003352326,0.0000332702,0.0003615843,0.0007956357,0.002471515,0.001162071,0.7933564,0.06717946,0.1310356],"study_design_scores_gemma":[0.00001205292,0.00007632923,0.0004051255,0.00111903,0.00001880613,0.0007779544,0.0003127148,0.002092559,0.001266216,0.4420472,0.5518518,0.00002008067],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"review","genre_gemma":"empirical","genre_scores_codex":[0.006208784,0.7791923,0.04411728,0.07046827,0.01858148,0.00006634989,0.00005516938,0.0002121272,0.08109827],"genre_scores_gemma":[0.2156861,0.5736141,0.06390654,0.05295562,0.02478188,0.000443196,0.000105509,0.0002651943,0.06824191],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00381658,"threshold_uncertainty_score":0.02018422,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007707608919098148,"score_gpt":0.2585600370772417,"score_spread":0.2508524281581436,"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."}}