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Soc."},{"key":"10.1016\/j.scitotenv.2021.147551_bb0380","article-title":"Nearly encounter-controlled reactions: the equivalence of the steady-state and diffusional viewpoints","volume":"104-106","author":"Truhlar","year":"1985","journal-title":"J. Chem. Educ."},{"key":"10.1016\/j.scitotenv.2021.147551_bb0385","doi-asserted-by":"crossref","first-page":"2664","DOI":"10.1021\/j100238a003","article-title":"Current status of transition-state theory","volume":"87","author":"Truhlar","year":"1983","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.scitotenv.2021.147551_bb0390","doi-asserted-by":"crossref","first-page":"5644","DOI":"10.1002\/1521-3765(20021216)8:24<5644::AID-CHEM5644>3.0.CO;2-9","article-title":"About the stability of sulfurous acid (H2SO3) and its dimer","volume":"8","author":"Voegele","year":"2002","journal-title":"Chem. Eur. 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