{"id":"W2111843925","doi":"10.1016/j.cplett.2011.08.034","title":"First principles study on the structure and STM image of acetylene adsorption on Ge(0 0 1)","year":2011,"lang":"en","type":"article","venue":"Chemical Physics Letters","topic":"Surface and Thin Film Phenomena","field":"Physics and Astronomy","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"Western University","funders":"Higher Education Discipline Innovation Project; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"Acetylene; Adsorption; Scanning tunneling microscope; Chemistry; Computational chemistry; Crystallography; Image (mathematics); Materials science; Physical chemistry; Nanotechnology; Computer science; Organic chemistry; Artificial intelligence","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":[0.0003361951,0.0004962708,0.0009684017,0.0004421342,0.0009339983,0.0006158582,0.00139061,0.0009636075,0.003613436],"category_scores_gemma":[0.0004084446,0.0004276176,0.000994748,0.0002924303,0.0007575203,0.0005837012,0.000441004,0.0009323371,0.000231972],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006511403,"about_ca_system_score_gemma":0.0005061926,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003577628,"about_ca_topic_score_gemma":0.004454005,"domain_scores_codex":[0.9998211,0.0000219557,0.000002897609,0.00001523826,0.0000855401,0.00005322044],"domain_scores_gemma":[0.9998204,0.00007327367,0.00001252937,0.00003683693,0.0000356226,0.00002132117],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005799198,0.001066576,0.00759226,0.001766778,0.000511449,0.003321582,0.001379645,0.3318911,0.4204329,0.2005535,0.006721162,0.02418318],"study_design_scores_gemma":[0.00009837608,0.0003195938,0.01106683,0.0000331285,0.00007664614,0.0003982488,0.0002700513,0.9504552,0.02443817,0.0114186,0.001371719,0.00005337934],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9619052,0.0007718984,0.0172933,0.000647803,0.00007808398,0.00007297695,0.0001898613,0.0002291497,0.01881158],"genre_scores_gemma":[0.9918094,0.0003210778,0.004216741,0.0000917613,0.0000206583,0.00004104407,0.0001127276,0.00003474927,0.003351771],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003613436,"threshold_uncertainty_score":0.01208818,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02488672806632953,"score_gpt":0.2184490148810412,"score_spread":0.1935622868147117,"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."}}