{"id":"W1975160506","doi":"10.1039/c3cp54662d","title":"A computational study of ‘Al-kanes’ and ‘Al-kenes’","year":2013,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Boron and Carbon Nanomaterials Research","field":"Materials Science","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ontario Institute of Technology","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Energetics; Series (stratigraphy); Stability (learning theory); Aluminium; Density functional theory; Computational chemistry; Chemical physics; Order (exchange); Chemistry; Carbon fibers; Crystallography; Materials science; Physics; Thermodynamics; Computer science","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":[0.0004720978,0.0004697472,0.0009957749,0.0004779807,0.001035611,0.0008752933,0.001739664,0.001705534,0.005938558],"category_scores_gemma":[0.00162349,0.0004497062,0.0006953534,0.0007264374,0.0009303262,0.000977328,0.0005235546,0.001103465,0.0002914609],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001058155,"about_ca_system_score_gemma":0.0009684266,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01720712,"about_ca_topic_score_gemma":0.03017377,"domain_scores_codex":[0.9998761,0.00003327582,0.00000469483,0.00002043087,0.00002498624,0.0000404999],"domain_scores_gemma":[0.999069,0.0006297231,0.00005367434,0.00006732706,0.0001080465,0.00007220578],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005870243,0.0003736156,0.005291038,0.0005494057,0.0002267553,0.0005112841,0.0001413981,0.9448314,0.002237151,0.02932589,0.008852916,0.007072121],"study_design_scores_gemma":[0.0002107483,0.0002416955,0.00230696,0.00002281673,0.00004562143,0.00006022121,0.0002234536,0.9889243,0.0009477909,0.005011442,0.001984247,0.00002072143],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9823651,0.0002235384,0.001799637,0.0006461868,0.00006675664,0.00002996864,0.0006768241,0.0001010827,0.0140909],"genre_scores_gemma":[0.9926005,0.0001349414,0.003672788,0.000182504,0.0000202852,0.00007260316,0.001180947,0.00005414129,0.002081309],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01720712,"threshold_uncertainty_score":0.0342139,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0142627697242535,"score_gpt":0.2799730971138054,"score_spread":0.2657103273895519,"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."}}