{"id":"W2044284325","doi":"10.1021/jp035871k","title":"Solvation of Yttrium with Ammonia:  An Experimental and Theoretical Study","year":2003,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Ammonia Synthesis and Nitrogen Reduction","field":"Chemical Engineering","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Solvation; Yttrium; Chemistry; Ammonia; Molecule; Binding energy; Hydrogen bond; Density functional theory; Physical chemistry; Computational chemistry; Dipole; Inorganic chemistry; Atomic physics; Organic chemistry; Oxide","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":[0.0002115708,0.00009155047,0.0001823751,0.000008253795,0.00003304905,0.000007082095,0.00008994152,0.00002633251,0.00003022627],"category_scores_gemma":[0.00004374679,0.00005226354,0.00004157457,0.00006282325,0.0001468713,0.00008034116,0.00001181397,0.0001733629,3.305468e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001964052,"about_ca_system_score_gemma":0.00001636277,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001591126,"about_ca_topic_score_gemma":4.518724e-8,"domain_scores_codex":[0.9994088,0.0000468661,0.0001770566,0.00006574776,0.0002120153,0.00008948195],"domain_scores_gemma":[0.9995433,0.000084359,0.0001314583,0.0001136289,0.00006199419,0.00006523179],"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":[0.0001926234,0.0006761748,0.00006282731,0.0000122257,0.000048899,0.000001915522,0.0008365015,0.000587008,0.995994,0.001522722,0.000001973865,0.00006309475],"study_design_scores_gemma":[0.0004775084,0.0003632031,0.00006542113,0.00001702475,0.00008609582,0.00007878651,0.002759422,0.002144682,0.9937373,0.0002020429,0.000005271931,0.00006319114],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9990088,0.00006801762,0.0005793199,0.00001986917,0.000004796008,0.00004633643,6.296316e-7,0.000005210374,0.0002670432],"genre_scores_gemma":[0.9997248,0.000001172811,0.0001239834,0.000002709179,0.0001253072,0.000001520785,2.303555e-7,0.00001066429,0.000009628347],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002256683,"threshold_uncertainty_score":0.2131245,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007372923533297771,"score_gpt":0.2358573400559517,"score_spread":0.2284844165226539,"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."}}