{"id":"W2092649823","doi":"10.1016/j.chemphys.2006.10.020","title":"Inner-shell excitation of gas phase carbonates and α,γ-dicarbonyl compounds","year":2006,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":29,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Electronegativity; Delocalized electron; Malonate; Spectroscopy; Computational chemistry; Physical chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002937232,0.000268206,0.0002721079,0.0002953212,0.0006131495,0.0004659063,0.0006887445,0.0005774169,0.009739535],"category_scores_gemma":[0.0005831843,0.0001999517,0.0001453199,0.0002793845,0.0006384873,0.0004346723,0.0007446337,0.0006892068,0.0004183538],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009797595,"about_ca_system_score_gemma":0.0002399562,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002730424,"about_ca_topic_score_gemma":0.003629044,"domain_scores_codex":[0.9998251,0.00001746897,0.000003624129,0.00004136583,0.00003791131,0.00007470304],"domain_scores_gemma":[0.9996563,0.0002033775,0.00004950408,0.00003151238,0.00002255054,0.00003679318],"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":[0.003040627,0.0001981856,0.007175607,0.0006870159,0.00005475026,0.0009685744,0.001625536,0.005723785,0.9404973,0.02248882,0.00227473,0.01526513],"study_design_scores_gemma":[0.0003419095,0.0008936526,0.02061339,0.00006604398,0.0000428357,0.0004825584,0.0008734799,0.02146384,0.9420123,0.004471108,0.008667235,0.00007171509],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9871853,0.0003629506,0.0006824966,0.0001802672,0.00003719663,0.000009018581,0.00008041057,0.00005641669,0.01140598],"genre_scores_gemma":[0.9970478,0.0001306289,0.0002165587,0.0000514875,0.000006101241,0.000004304127,0.00007840364,0.00001861213,0.002446087],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009739535,"threshold_uncertainty_score":0.03258204,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008726072095187616,"score_gpt":0.2495746704323389,"score_spread":0.2408485983371513,"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."}}