{"id":"W1961050436","doi":"10.1139/cjc-2014-0255","title":"A theoretical investigation of the S<sub>2</sub><sup>+</sup> cation in the gas phase","year":2014,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Complete active space; Atomic physics; Multireference configuration interaction; Hamiltonian (control theory); Basis set; Valence (chemistry); Radiative transfer; Potential energy; Bound state; Pauli exclusion principle; Configuration interaction; Relativistic quantum chemistry; Ground state; Scalar (mathematics); Physics; Quantum mechanics; Computational chemistry; Excited state; Density functional theory","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002226784,0.0005194514,0.0005307154,0.0006278435,0.0008709465,0.0004223726,0.0009018587,0.0007355732,0.006216032],"category_scores_gemma":[0.0003915943,0.0002358341,0.0003922595,0.000588307,0.0008912868,0.0006088292,0.0004297405,0.0004314746,0.0004209655],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008176503,"about_ca_system_score_gemma":0.000674843,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00377685,"about_ca_topic_score_gemma":0.004920089,"domain_scores_codex":[0.9999171,0.0000172357,0.000001560171,0.000009994302,0.00003300019,0.000020991],"domain_scores_gemma":[0.9998831,0.00006341632,0.00001056897,0.00001257506,0.00001964451,0.00001063715],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0006096766,0.0001798235,0.004848892,0.001377363,0.00008025576,0.00111768,0.0003783618,0.6759878,0.0434127,0.2446585,0.003356681,0.02399227],"study_design_scores_gemma":[0.00008577878,0.0003145555,0.001664681,0.00005303317,0.00002074885,0.0002078232,0.0003323928,0.9547512,0.01001513,0.02979583,0.002739937,0.00001884646],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9476675,0.001075231,0.01510995,0.0006839515,0.00003678013,0.00005800166,0.0004136879,0.0001452675,0.03480959],"genre_scores_gemma":[0.9937895,0.0004404691,0.002876449,0.00005818327,0.00001213307,0.00004595767,0.000220915,0.00002439263,0.002532089],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006216032,"threshold_uncertainty_score":0.02079463,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005634050144780304,"score_gpt":0.2111282909864489,"score_spread":0.2054942408416686,"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."}}