{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00001977521,0.000227886,0.0004014648,0.0001625757,0.00006497748,0.000008817855,0.0002546895,0.0002215363,0.00005665948],"category_scores_gemma":[0.00004334693,0.0002613808,0.0001286347,0.0002398881,0.0001035654,0.0001844063,0.00006095053,0.0002247989,0.000003795338],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005046207,"about_ca_system_score_gemma":0.0001013496,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004660997,"about_ca_topic_score_gemma":0.001309711,"domain_scores_codex":[0.9989113,0.00002251802,0.0003398583,0.000330707,0.00023909,0.0001565661],"domain_scores_gemma":[0.9988134,0.00009770076,0.0003808375,0.0002869687,0.0002908449,0.0001302545],"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":[0.002159483,0.001401125,0.078867,0.02701374,0.003297621,0.0003701451,0.001442794,0.03019727,0.8376624,0.01233171,0.003566362,0.001690367],"study_design_scores_gemma":[0.0008903521,0.00004997963,0.0000924,0.0006660924,0.0006122801,4.667674e-8,0.00676786,0.006637387,0.9815939,0.001987704,0.0003210453,0.0003809315],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952038,0.00008993953,0.0001918413,0.00000373681,0.00007856557,0.0001026907,0.0002660489,0.00003653031,0.004026851],"genre_scores_gemma":[0.9936832,0.0000142017,0.0001563422,0.000003829049,0.00002198837,0.000002485378,0.004497726,0.00002556614,0.00159473],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1439315,"threshold_uncertainty_score":0.9999838,"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."}}