{"id":"W3020990060","doi":"10.1039/d0cp00069h","title":"A vibrational spectroscopic and computational study of gaseous protonated and alkali metal cationized G–C base pairs","year":2020,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":10,"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; Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Compute Canada; Canada Foundation for Innovation; Western Canada Research Grid","keywords":"Protonation; Alkali metal; Chemistry; Base (topology); Metal; Base metal; Computational chemistry; Inorganic chemistry; Materials science; Organic chemistry; Metallurgy; Mathematics; Ion","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":[0.0003226262,0.0005028426,0.0006084655,0.0003618594,0.0008807686,0.0005971692,0.00125875,0.001150619,0.005468398],"category_scores_gemma":[0.0006861868,0.0003000497,0.0006343708,0.00051,0.0007129768,0.0006381667,0.000470808,0.0007806066,0.0003563685],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009024049,"about_ca_system_score_gemma":0.000685058,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01683646,"about_ca_topic_score_gemma":0.01587326,"domain_scores_codex":[0.9998643,0.00002460871,0.000003654579,0.00003014594,0.00002807441,0.0000490731],"domain_scores_gemma":[0.9996263,0.0002272353,0.00003537882,0.00003151769,0.00004551923,0.0000340396],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001169232,0.000788097,0.01069528,0.0008074199,0.0002703787,0.0008447635,0.0003452224,0.9219445,0.02741383,0.01824711,0.008422823,0.009051282],"study_design_scores_gemma":[0.0002825958,0.0005357175,0.006622427,0.00002481573,0.00006663224,0.00007785041,0.0004376654,0.9814083,0.005942015,0.002908126,0.001654685,0.00003913493],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9896825,0.00025079,0.0009231094,0.0002846814,0.00002870734,0.00001653209,0.0007337999,0.00008907671,0.007990891],"genre_scores_gemma":[0.9966983,0.0001183811,0.001119823,0.00008805348,0.000009899924,0.0000213014,0.0008141526,0.00002051694,0.001109581],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01683646,"threshold_uncertainty_score":0.03347695,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01385314525507849,"score_gpt":0.2539842928766444,"score_spread":0.2401311476215659,"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."}}