{"id":"W2192088605","doi":"10.1039/c5cp05188f","title":"Structures and unimolecular chemistry of M(Pro<sub>2</sub>-H)<sup>+</sup>(M = Mg, Ca, Sr, Ba, Mn, Fe, Co, Ni, Cu, Zn) by IRMPD spectroscopy, SORI-CID, and theoretical studies","year":2015,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"X-ray Spectroscopy and Fluorescence Analysis","field":"Physics and Astronomy","cited_by":7,"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":"Chemistry; Spectroscopy; Manganese; Infrared multiphoton dissociation; Crystallography; Analytical Chemistry (journal); Physical chemistry; Dissociation (chemistry); Physics; Environmental chemistry","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":[0.0001064424,0.0003297143,0.0001539315,0.0001910394,0.000265332,0.0003771449,0.0004266856,0.0003128475,0.002193953],"category_scores_gemma":[0.0002320375,0.0001497261,0.0001224908,0.0001630999,0.0002274063,0.0002755732,0.0002181295,0.0002681633,0.0003636623],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004713846,"about_ca_system_score_gemma":0.0001116951,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000707225,"about_ca_topic_score_gemma":0.0007077219,"domain_scores_codex":[0.9999284,0.000007164312,0.000002484975,0.0000242738,0.00002294741,0.00001464827],"domain_scores_gemma":[0.9999272,0.00001303697,0.00002709518,0.000007254729,0.00001542028,0.00001012995],"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":[0.0004930865,0.00004278802,0.002545079,0.0002016366,0.00002563593,0.0002704046,0.00014977,0.002373623,0.9845232,0.002050557,0.0005194285,0.006804938],"study_design_scores_gemma":[0.00003721276,0.0003234672,0.006390372,0.000005825503,0.0000156686,0.0004497412,0.0001228137,0.01360315,0.9718429,0.0006156865,0.006574259,0.00001892885],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9911051,0.0007679104,0.004136999,0.00006062977,0.0000106365,0.00001986345,0.0002840285,0.0001194708,0.003495266],"genre_scores_gemma":[0.9946661,0.0002000836,0.003471154,0.00004047715,0.000005794594,0.00001661347,0.0003271886,0.00002680632,0.001245676],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002193953,"threshold_uncertainty_score":0.007339537,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007971090997181702,"score_gpt":0.2567998464750879,"score_spread":0.2488287554779062,"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."}}