{"id":"W2088283402","doi":"10.1021/jp8076112","title":"Dissociative Adsorption and Thermal Evolution of Acetic Acid on Si(100)2×1: Surface-Mediated Formation of Ketene and Acetaldehyde from Unidentate and Bidentate Acetate Adsorbates","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Semiconductor materials and devices","field":"Engineering","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Ketene; Denticity; Chemistry; X-ray photoelectron spectroscopy; Dissociation (chemistry); Desorption; Acetaldehyde; Adsorption; Acetic acid; Density functional theory; Methyl acetate; Inorganic chemistry; Photochemistry; Physical chemistry; Crystallography; Computational chemistry; Organic chemistry; Ethanol; Crystal structure; Chemical engineering","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001283489,0.000122873,0.0002825756,0.00001804288,0.00003070663,0.00001015279,0.00007012328,0.00004290669,0.000007097647],"category_scores_gemma":[0.00003202955,0.00008563315,0.00003637191,0.00006449808,0.0001354657,0.0002992883,0.00002777148,0.0001158516,6.452421e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003453115,"about_ca_system_score_gemma":0.000008792236,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002697037,"about_ca_topic_score_gemma":0.000001165712,"domain_scores_codex":[0.9993395,0.00004566108,0.000284713,0.00006077717,0.0001715358,0.00009782876],"domain_scores_gemma":[0.9993438,0.0001630532,0.0003027282,0.00006928278,0.00007038667,0.00005076419],"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":[0.0001185407,0.00002271199,0.0005320943,0.0001172885,0.00005578338,8.838585e-7,0.001942036,0.001365438,0.9957715,0.000002051846,0.000005585657,0.00006607963],"study_design_scores_gemma":[0.0006471857,0.00007691985,0.02829326,0.0001158547,0.00008385113,0.00001873787,0.0005405343,0.006798883,0.9631048,0.0002370656,0.000001535379,0.00008138174],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981455,0.001650246,0.00001284196,0.0000304537,0.00003073745,0.00005159156,0.00004451732,0.00001045846,0.00002366033],"genre_scores_gemma":[0.9979523,0.001933817,0.00001823473,0.000003220229,0.00007030783,4.881693e-7,0.000007297279,0.00001124997,0.000003107832],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03266671,"threshold_uncertainty_score":0.3492019,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009988612855811773,"score_gpt":0.2083550757537807,"score_spread":0.198366462897969,"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."}}