{"id":"W2060311898","doi":"10.1021/jp0498365","title":"Geometrical and Electronic Structure of the Pt<sub>7</sub> Cluster:  A Density Functional Study","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Antibonding molecular orbital; Molecular orbital; Natural bond orbital; Localized molecular orbitals; Chemistry; Non-bonding orbital; Cluster (spacecraft); Electronic structure; Density functional theory; Molecular physics; Physics; Molecular orbital theory; Atomic orbital; Computational chemistry; Molecule; Electron; Quantum mechanics","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":[0.00008176077,0.0001697406,0.0003117909,0.00001136456,0.0001432954,0.00001034372,0.000255786,0.00002383839,0.000004871461],"category_scores_gemma":[0.00003297069,0.00009283947,0.0001792441,0.0002801029,0.0002194169,0.00007930042,0.0002044119,0.0006683311,6.102466e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007051627,"about_ca_system_score_gemma":0.00008272572,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005047154,"about_ca_topic_score_gemma":6.062975e-7,"domain_scores_codex":[0.9990017,0.00003362606,0.0002520352,0.0001192215,0.0003766626,0.0002167133],"domain_scores_gemma":[0.9990203,0.0002007316,0.0003459851,0.0002071809,0.0001636116,0.00006219761],"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":[0.000113452,0.0005338063,0.0009453287,0.00001621656,0.0002734613,4.027991e-7,0.0003804624,0.0122548,0.9847209,0.0003068396,0.00003851665,0.0004157382],"study_design_scores_gemma":[0.001079686,0.0001054724,0.003475476,0.00001926233,0.000189339,0.00001073105,0.0004036452,0.00003675627,0.8778449,0.1167276,0.00000904126,0.00009804497],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983749,0.0000512632,0.001167735,0.0001869379,0.0000153014,0.00009733845,0.000009811978,0.000003606009,0.00009312416],"genre_scores_gemma":[0.9992795,0.00000204401,0.000007139495,0.00002572669,0.0006655761,0.000001092033,9.491603e-7,0.000011196,0.000006754703],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1164208,"threshold_uncertainty_score":0.3785884,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004309897031091128,"score_gpt":0.2116809922462876,"score_spread":0.2073710952151965,"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."}}