{"id":"W2052434807","doi":"10.1021/jp9086464","title":"First Principles Study of the Adsorption Structure of Ethylene on Ge(001) Surface","year":2010,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Surface and Thin Film Phenomena","field":"Physics and Astronomy","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Monolayer; Ethylene; Adsorption; Band gap; Bridge (graph theory); Materials science; Metal; Chemical physics; Density functional theory; Computational chemistry; Chemistry; Crystallography; Physical chemistry; Nanotechnology; Catalysis; Organic chemistry; Optoelectronics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004252065,0.0007870882,0.0011486,0.000640191,0.0009191363,0.0006290535,0.001417336,0.001368472,0.002359937],"category_scores_gemma":[0.0005689012,0.0004972879,0.0009545675,0.0004977823,0.0006818264,0.0007674079,0.0004619142,0.0008050696,0.0002469732],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001140543,"about_ca_system_score_gemma":0.0009249864,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0071688,"about_ca_topic_score_gemma":0.005464562,"domain_scores_codex":[0.9997806,0.00004055125,0.000004534028,0.00001726681,0.0000905195,0.00006660354],"domain_scores_gemma":[0.9997807,0.0001155819,0.00001594134,0.00002433613,0.0000481469,0.00001530703],"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":[0.0002185715,0.0002177131,0.003040625,0.0006283586,0.0001239038,0.0009729704,0.0002615881,0.9151948,0.0337623,0.03538956,0.0014626,0.008726887],"study_design_scores_gemma":[0.00004109057,0.00007468589,0.001231856,0.00001409138,0.00001604458,0.00005772747,0.00005124819,0.9924874,0.003446815,0.002322542,0.0002406378,0.00001568586],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9759229,0.0005344212,0.0118955,0.0004308324,0.00002544317,0.00005379462,0.0003282119,0.0001720722,0.01063673],"genre_scores_gemma":[0.9916105,0.0004517036,0.005340238,0.00009814803,0.00001145989,0.00008938176,0.0003185518,0.00004595909,0.002034085],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0071688,"threshold_uncertainty_score":0.01425415,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009943104178431812,"score_gpt":0.2341753182189555,"score_spread":0.2242322140405237,"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."}}