{"id":"W2086339306","doi":"10.1021/jp809993k","title":"Structures of Hydrated Li<sup>+</sup>−Thymine and Li<sup>+</sup>−Uracil Complexes by IRMPD Spectroscopy in the N−H/O−H Stretching Region","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Thymine; Solvation; Uracil; Nucleobase; Hydrogen bond; Crystallography; Molecule; Density functional theory; Pyrimidine; Computational chemistry; Stereochemistry; DNA","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":[0.00009646986,0.0002678455,0.0002990165,0.0001819796,0.0002669837,0.000307139,0.0007183035,0.0003332073,0.002030332],"category_scores_gemma":[0.0002185636,0.000161691,0.0001224891,0.000198529,0.0002879784,0.0002133362,0.0002322373,0.0004292639,0.0001743665],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006530919,"about_ca_system_score_gemma":0.0001118268,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001342304,"about_ca_topic_score_gemma":0.0009798337,"domain_scores_codex":[0.9999037,0.00001139197,0.000003683485,0.00001964081,0.00004067376,0.00002095991],"domain_scores_gemma":[0.9999236,0.00001814917,0.00002387603,0.000005040723,0.00001304185,0.00001641016],"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":[0.001407349,0.0001027381,0.003322802,0.0004630925,0.00008229956,0.0003449376,0.0004989541,0.01070002,0.9720167,0.001530115,0.001124022,0.008406973],"study_design_scores_gemma":[0.0003683849,0.001695207,0.03071241,0.00004761407,0.00008651825,0.0005983148,0.0005665669,0.0716237,0.8833347,0.0006761618,0.0101777,0.000112805],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998076,0.0004374025,0.0003776129,0.00003468628,0.000004230811,0.000004254813,0.0001722699,0.00003515611,0.0008583319],"genre_scores_gemma":[0.9973851,0.000227337,0.0008156461,0.00002660235,0.000003376285,0.00001286513,0.0007689712,0.00002037394,0.0007398181],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002030332,"threshold_uncertainty_score":0.006792188,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008401586039552086,"score_gpt":0.2325530521833507,"score_spread":0.2241514661437986,"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."}}