{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004045436,0.0003110951,0.0006354612,0.00002606783,0.0001507106,0.00002957714,0.0002691036,0.0001185708,0.0001069435],"category_scores_gemma":[0.0001197385,0.0002027627,0.0001673615,0.0001305746,0.0006937561,0.0002683275,0.00004164407,0.000409356,3.114048e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005770912,"about_ca_system_score_gemma":0.00008716308,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005347562,"about_ca_topic_score_gemma":2.062088e-7,"domain_scores_codex":[0.9982538,0.0001129256,0.0006592115,0.000233251,0.0004898339,0.000250987],"domain_scores_gemma":[0.9977245,0.0008545564,0.0008168416,0.0001820754,0.0002711496,0.0001508796],"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":[0.0005340943,0.0001678615,0.0001308108,0.0005524791,0.0003626628,0.000002762847,0.0006273625,0.0004483994,0.994459,0.00001964906,0.0001686298,0.002526301],"study_design_scores_gemma":[0.001422188,0.0000795639,0.0002715749,0.0002653649,0.0003211127,0.0001663222,0.0004832485,0.001745257,0.9898659,0.005127078,0.00003384297,0.0002185589],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952716,0.0007263117,0.003096616,0.0002789028,0.00000804083,0.00004781253,0.0002542402,0.00001393038,0.0003025485],"genre_scores_gemma":[0.9981611,0.0001302579,0.001360827,0.00001778538,0.0002479795,0.000001916349,0.00003309813,0.00002297472,0.00002408866],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005107429,"threshold_uncertainty_score":0.8268422,"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."}}