{"id":"W2073812893","doi":"10.1021/jp073757m","title":"Theoretical Studies of the Formation and Reactivity of C<sub>2</sub>Hydrocarbon Species on the Fe(100) Surface","year":2007,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Catalysts for Methane Reforming","field":"Chemical Engineering","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Reactivity (psychology); Hydrocarbon; Ethylene; Hydride; Adsorption; Catalysis; Density functional theory; Hydrogen atom; Hydrogen; Atom (system on chip); Computational chemistry; Physical chemistry; Photochemistry; Organic chemistry","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":[0.00107004,0.0001344907,0.0003136863,0.00001123184,0.00005650961,0.000003937491,0.000284338,0.00004787693,0.000002597944],"category_scores_gemma":[0.0006986482,0.00005814528,0.0001792832,0.0001593446,0.0005033765,0.00008502873,0.0001022104,0.0004887467,4.295698e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008456971,"about_ca_system_score_gemma":0.00001474415,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002234691,"about_ca_topic_score_gemma":4.377491e-7,"domain_scores_codex":[0.9989097,0.00004116794,0.000367762,0.00006277772,0.0004601711,0.0001583926],"domain_scores_gemma":[0.9976324,0.001509155,0.0004370209,0.0002625072,0.0001180017,0.00004092064],"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":[0.0001223673,0.00006397421,0.000007380077,0.0001134532,0.00008449094,7.741638e-7,0.001088051,0.0003391546,0.995772,0.00201473,0.000007141402,0.0003865079],"study_design_scores_gemma":[0.000183607,0.000041173,0.0001247828,0.0001816948,0.0001034979,0.00003933877,0.0009996284,0.00150288,0.9947325,0.002016811,0.00001120698,0.00006290776],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980158,0.0001381945,0.00005725653,0.000336963,0.00002685825,0.0000593628,0.000003283899,0.000005540507,0.001356789],"genre_scores_gemma":[0.9997364,0.00003737759,0.000005172371,0.000009737474,0.0001860946,3.025343e-7,3.160939e-7,0.00001106502,0.000013493],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001720689,"threshold_uncertainty_score":0.2371096,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01513959937324087,"score_gpt":0.2488627613313612,"score_spread":0.2337231619581203,"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."}}