{"id":"W1963620488","doi":"10.17764/jiet.46.1.7450w638377v5872","title":"Adsorption Behavior of Chemical Contaminants by Molecular Simulation","year":2003,"lang":"en","type":"article","venue":"Journal of the IEST","topic":"Surface Roughness and Optical Measurements","field":"Engineering","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hatch (Canada)","funders":"","keywords":"Adsorption; Wafer; Silicon; Molecular dynamics; Molecule; Hydrogen; Silicon oxide; Chemistry; Chemical engineering; Oxide; Contamination; Surface energy; Benzene; Materials science; Inorganic chemistry; Physical chemistry; Organic chemistry; Nanotechnology; Computational 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":[0.0001317717,0.00005048833,0.0001050047,0.0000136257,0.00000750778,0.000005820477,0.00007493523,0.00003828243,0.00001667385],"category_scores_gemma":[0.00009727335,0.00003495435,0.00006199356,0.0000566575,0.00001403111,0.00005698067,0.000004535949,0.00009309906,0.000001878435],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003858078,"about_ca_system_score_gemma":0.000007306296,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":7.638301e-7,"about_ca_topic_score_gemma":1.535667e-7,"domain_scores_codex":[0.9994736,0.00002031607,0.0002082796,0.00002569363,0.0002030123,0.00006905264],"domain_scores_gemma":[0.9997326,0.00002013712,0.00007603247,0.000069677,0.00007267005,0.00002885451],"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":[0.000007466692,0.00004944817,0.004643127,0.00001236774,0.00002017347,0.000001648868,0.00002427796,0.03765303,0.9569662,0.00004477208,0.00007846949,0.0004989741],"study_design_scores_gemma":[0.0004466147,0.0000295181,0.004586749,0.00006683231,0.00006588092,0.00001050254,0.00002137705,0.004683523,0.9893993,0.00005978099,0.0005653519,0.00006456862],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977033,0.0002774727,0.001453287,0.000009782008,0.000319116,0.00004456953,0.000001575732,0.000003776518,0.0001871867],"genre_scores_gemma":[0.9996923,0.000006977506,0.0002649862,0.000006806014,0.00001142653,6.472639e-7,1.568763e-7,0.000008033353,0.000008616694],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0329695,"threshold_uncertainty_score":0.1425397,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01272768750694179,"score_gpt":0.2317083967526532,"score_spread":0.2189807092457114,"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."}}