{"id":"W4408212907","doi":"10.1021/acs.jpca.4c07002","title":"Theoretical Study of the Reaction of Hydrogen Selenide with the Cl<sup>•</sup> Atom and the <sup>•</sup>OH Radical, and Differences with the Behavior of Other Hydrogen Chalcogenides","year":2025,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Atmospheric chemistry and aerosols","field":"Earth and Planetary Sciences","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"European Regional Development Fund; Consejo Superior de Investigaciones Científicas; Région Hauts-de-France; Centre National de la Recherche Scientifique; Ministère de l'Enseignement Supérieur et de la Recherche Scientifique; Agencia Nacional de Investigación e Innovación; Agence Nationale de la Recherche; Université de Lille; French Embassy in Canada - Cultural and Scientific Services; Programa de Desarrollo de las Ciencias Básicas","keywords":"Chemistry; Molecule; Hydrogen atom; Adduct; Hydrogen; Selenide; Hydrogen sulfide; Radical; Physical chemistry; Chemical kinetics; Reaction rate constant; Computational chemistry; Kinetics; Sulfur; Organic chemistry; Selenium","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005763834,0.0007915628,0.001000348,0.001260286,0.001287906,0.0005753121,0.001528773,0.001612373,0.005530405],"category_scores_gemma":[0.0007809183,0.0004097506,0.001238932,0.0005595376,0.001628616,0.001144935,0.0005910427,0.0007922907,0.0006840025],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001374331,"about_ca_system_score_gemma":0.001333596,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004747419,"about_ca_topic_score_gemma":0.003473533,"domain_scores_codex":[0.9997802,0.0000577306,0.000005362847,0.00002070805,0.00006773217,0.00006823528],"domain_scores_gemma":[0.9995453,0.0002660801,0.00003948807,0.00004637512,0.0000717564,0.00003106011],"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":[0.00008343023,0.000150848,0.0008006166,0.0003761532,0.00004368595,0.0003154033,0.0002168405,0.7535383,0.005991426,0.2321092,0.001119771,0.005254332],"study_design_scores_gemma":[0.00001675902,0.00002332002,0.0003704812,0.00001060738,0.000009418294,0.00002870192,0.00004121792,0.9807016,0.0006964941,0.01749375,0.0005966165,0.00001096698],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6956968,0.002025931,0.1691467,0.002214679,0.0002102247,0.0001641979,0.0005794564,0.0002891626,0.1296729],"genre_scores_gemma":[0.9658671,0.0009977103,0.01847107,0.0002511191,0.0001045156,0.000285932,0.0002287503,0.0001342916,0.01365948],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005530405,"threshold_uncertainty_score":0.0185011,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006053429991958641,"score_gpt":0.2043136714495004,"score_spread":0.1982602414575417,"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."}}