{"id":"W195861617","doi":"","title":"Computational modeling of supported catalyst systems: investigation of free catalyst nanoparticles and support effects","year":2011,"lang":"en","type":"dissertation","venue":"Summit (Simon Fraser University)","topic":"Advanced Physical and Chemical Molecular Interactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Technische Universität München; Natural Sciences and Engineering Research Council of Canada; Mitacs","keywords":"Catalysis; Nanoparticle; Computer science; Chemical engineering; Nanotechnology; Materials science; Engineering; Chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000594627,0.0006062583,0.001388249,0.0005407268,0.0008734979,0.001359809,0.001541252,0.002364489,0.002033259],"category_scores_gemma":[0.002685964,0.0005856268,0.0008288812,0.0007155396,0.0008817036,0.0009609538,0.0007135736,0.001096158,0.0002355343],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001064774,"about_ca_system_score_gemma":0.001853232,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01680786,"about_ca_topic_score_gemma":0.009922547,"domain_scores_codex":[0.9997717,0.00008179608,0.000009636973,0.00002654052,0.00006505612,0.00004529287],"domain_scores_gemma":[0.9987352,0.0009640908,0.00005994911,0.0000623085,0.0001161011,0.00006227529],"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":[0.00004243232,0.00003748548,0.000577028,0.00003921482,0.00001543924,0.00004852887,0.00002265518,0.9955201,0.0004821019,0.002238397,0.0001311789,0.0008454231],"study_design_scores_gemma":[0.000006594102,0.00000617117,0.00007752915,0.000002020083,0.000001885028,0.000002653585,0.000006616842,0.9994753,0.00009576047,0.0002594689,0.00006432107,0.000001635884],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9309751,0.0007486106,0.04429208,0.001276043,0.0001054223,0.0001469663,0.00116257,0.0002292327,0.02106394],"genre_scores_gemma":[0.9779638,0.0003362983,0.01786115,0.0001515208,0.00003120146,0.0002864147,0.0005508771,0.00007704947,0.002741636],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01680786,"threshold_uncertainty_score":0.03342003,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01044201937577984,"score_gpt":0.210618768742896,"score_spread":0.2001767493671162,"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."}}