{"id":"W2563451558","doi":"10.1021/acs.jpcb.6b09614","title":"Ammoniated Complexes of Uracil and Transition Metal Ions: Structures of [M(Ura-H)(Ura)(NH<sub>3</sub>)]<sup>+</sup>by IRMPD Spectroscopy and Computational Methods (M = Fe, Co, Ni, Cu, Zn, Cd)","year":2016,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Radioactive element chemistry and processing","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Natural Sciences and Engineering Research Council of Canada; Memorial University of Newfoundland; Canada Foundation for Innovation","keywords":"Infrared multiphoton dissociation; Tautomer; Chemistry; Deprotonation; Uracil; Crystallography; Molecule; Spectroscopy; Dissociation (chemistry); Stereochemistry; Ion; Physical chemistry; Physics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00009983688,0.0003835275,0.0005751509,0.0001552601,0.0003741361,0.0003808592,0.001241323,0.0006847493,0.002817855],"category_scores_gemma":[0.0003391554,0.0002192634,0.0001617604,0.0003463668,0.0002880377,0.0003155852,0.0003344995,0.0005269603,0.0002046148],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007986089,"about_ca_system_score_gemma":0.0003562018,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003435331,"about_ca_topic_score_gemma":0.004136173,"domain_scores_codex":[0.9999193,0.00001357079,0.000002873505,0.00001656236,0.0000285121,0.00001923031],"domain_scores_gemma":[0.9998947,0.00003558074,0.00001904568,0.00001005715,0.00002687276,0.00001371854],"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":[0.003923791,0.0005026635,0.01161203,0.003674969,0.0005007186,0.002145838,0.0008624565,0.450482,0.4633955,0.01969169,0.007494464,0.03571388],"study_design_scores_gemma":[0.0006642163,0.00141052,0.007024758,0.00007734983,0.0001483874,0.0004857449,0.0006884713,0.7628636,0.2158182,0.003296434,0.007444395,0.00007787497],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949961,0.0003149702,0.001679495,0.00007190222,0.000008766362,0.00001450324,0.0002614434,0.00006370105,0.00258911],"genre_scores_gemma":[0.9943061,0.0002112721,0.004144505,0.00002399779,0.000004575294,0.00003036519,0.0007023516,0.00002854434,0.0005482599],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003435331,"threshold_uncertainty_score":0.009426713,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01250319832427297,"score_gpt":0.2939949382285064,"score_spread":0.2814917399042334,"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."}}