{"id":"W2170283596","doi":"10.1002/qua.23200","title":"Theoretical studies of Au<sub><i>m</i></sub> and PtAu<sub><i>n</i></sub> clusters and their N<sub>2</sub> and O<sub>2</sub> adsorption complexes","year":2011,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Homonuclear molecule; Delocalized electron; Chemistry; Cluster (spacecraft); Density functional theory; Atomic orbital; Bimetallic strip; Molecular orbital; Crystallography; Atom (system on chip); Metal; Atomic physics; Computational chemistry; Electron; Physics; Molecule","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":["metaepi_narrow","sts"],"consensus_categories":[],"category_scores_codex":[0.002230507,0.0006321711,0.0009800347,0.0002317037,0.0002364109,0.0003125076,0.001106502,0.0002687808,0.00004148445],"category_scores_gemma":[0.001147532,0.0005356272,0.0001936087,0.0002254137,0.003375123,0.001043266,0.0009527378,0.0004644907,0.00001429458],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002488142,"about_ca_system_score_gemma":0.0003299356,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001088412,"about_ca_topic_score_gemma":0.00001200462,"domain_scores_codex":[0.9954783,0.0001594724,0.001593842,0.00082558,0.001265769,0.0006770557],"domain_scores_gemma":[0.9957331,0.0006788877,0.001567286,0.0004301836,0.001171027,0.0004194662],"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":[0.0007571539,0.0002072525,0.0002838451,0.0004394547,0.0001778424,0.0000724272,0.001977987,0.00002019871,0.992031,0.001511956,0.0001911486,0.002329767],"study_design_scores_gemma":[0.001347858,0.0002195513,0.001154277,0.0008251086,0.0001266132,0.001929206,0.00141722,0.0006803889,0.9718167,0.01994224,0.00001218046,0.0005287196],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947103,0.001440374,0.00137157,0.0004524644,0.001409024,0.0002038845,0.0002052379,0.00005349682,0.0001536202],"genre_scores_gemma":[0.995973,0.002856819,0.0002899177,0.0002277441,0.0005602801,0.00001773152,0.0000167932,0.00005616018,0.00000157814],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02021433,"threshold_uncertainty_score":0.9997095,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0249949693686012,"score_gpt":0.2653887761627451,"score_spread":0.2403938067941439,"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."}}