{"id":"W2065751668","doi":"10.1002/qua.963","title":"Prediction of the existence of radon carbonyl: RnCO","year":2002,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Nuclear Physics; National Energy Research Scientific Computing Center; U.S. Department of Energy","keywords":"Antibonding molecular orbital; Chemistry; Wave function; Bond-dissociation energy; Dissociation (chemistry); Ionization energy; Atomic physics; Relativistic quantum chemistry; Ab initio; Population; Mulliken population analysis; Ab initio quantum chemistry methods; Ion; Ionization; Electron; Computational chemistry; Physics; Physical chemistry; Molecule; Density functional theory; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005307583,0.0002322648,0.0002135379,0.0006395159,0.0004960792,0.0003351443,0.0006178463,0.0005122811,0.002007085],"category_scores_gemma":[0.001422972,0.0002021204,0.0001927756,0.0002241371,0.0004084362,0.0004058194,0.0002936541,0.0002322121,0.000247933],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003726416,"about_ca_system_score_gemma":0.0002747516,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00119294,"about_ca_topic_score_gemma":0.001164039,"domain_scores_codex":[0.9998419,0.00002670615,0.000004832196,0.00002864289,0.00006540303,0.00003236996],"domain_scores_gemma":[0.9994932,0.0002043252,0.0000942024,0.00005375246,0.0001122777,0.00004222025],"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":[0.001430038,0.000300975,0.2477902,0.0007881963,0.000158894,0.002519385,0.0004436798,0.1756927,0.4293075,0.09584255,0.002231983,0.04349397],"study_design_scores_gemma":[0.0001612169,0.0005052536,0.05151958,0.0000500679,0.0001086844,0.001045065,0.0003360203,0.620673,0.3018017,0.01876085,0.004956692,0.00008186892],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9861276,0.0001187879,0.009031531,0.0000763727,0.00001349707,0.000009250262,0.0001291586,0.0001342414,0.004359542],"genre_scores_gemma":[0.9983258,0.00002406761,0.001355547,0.00000955069,0.000002221514,0.000004873315,0.00008987582,0.000009160254,0.0001789772],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002007085,"threshold_uncertainty_score":0.006714404,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02124683645720288,"score_gpt":0.2173288734465839,"score_spread":0.196082036989381,"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."}}