{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,4]],"date-time":"2026-11-04T17:06:50Z","timestamp":1793812010516,"version":"4.6.1"},"reference-count":48,"publisher":"Copernicus GmbH","issue":"2","license":[{"start":{"date-parts":[[2020,6,3]],"date-time":"2020-06-03T00:00:00Z","timestamp":1591142400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Earth Syst. Sci. Data"],"abstract":"<jats:p>\n                    We present a digital, freely available, searchable, and\nevaluated compilation of rate coefficients for the gas-phase reactions of\norganic compounds with OH, Cl, and NO\n                    <jats:sub>3<\/jats:sub>\n                    radicals and with O\n                    <jats:sub>3<\/jats:sub>\n                    .\nAlthough other compilations of many of these data exist, many are\nout of date, most have limited scope, and all are difficult to search and to\nload completely into a digitized form. This compilation uses results of\nprevious reviews, though many recommendations are updated to incorporate new\nor omitted data or address errors, and includes recommendations on many\nreactions that have not been reviewed previously. The database, which\nincorporates over 50\u00a0years of measurements, consists of a total of 2765\nrecommended bimolecular rate coefficients for the reactions of 1357 organic\nsubstances with OH, 709 with Cl, 310 with O\n                    <jats:sub>3<\/jats:sub>\n                    , and 389 with NO\n                    <jats:sub>3<\/jats:sub>\n                    ,\nand is much larger than previous compilations. Many compound types are\npresent in this database, including naturally occurring chemicals formed in\nor emitted to the atmosphere and anthropogenic compounds such as halocarbons\nand their degradation products. Recommendations are made for rate\ncoefficients at 298\u2009K and, where possible, the temperature dependences over\nthe entire range of the available data. The primary motivation behind this\nproject has been to provide a large and thoroughly evaluated training\ndataset for the development of structure\u2013activity relationships (SARs),\nwhose reliability depends fundamentally upon the availability of\nhigh-quality experimental data. However, there are other potential\napplications of this work, such as research related to atmospheric lifetimes\nand fates of organic compounds, or modelling gas-phase reactions of organics\nin various environments. This database is freely accessible at\nhttps:\/\/doi.org\/10.25326\/36 (McGillen et al., 2019).\n                  <\/jats:p>","DOI":"10.5194\/essd-12-1203-2020","type":"journal-article","created":{"date-parts":[[2020,6,3]],"date-time":"2020-06-03T04:25:10Z","timestamp":1591158310000},"page":"1203-1216","source":"Crossref","is-referenced-by-count":107,"title":["Database for the kinetics of the gas-phase atmospheric reactions of organic compounds"],"prefix":"10.5194","volume":"12","author":[{"given":"Max R.","family":"McGillen","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"},{"role":"corresponding-author","vocabulary":"crossref"}]},{"given":"William P. L.","family":"Carter","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdelwahid","family":"Mellouki","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"John J.","family":"Orlando","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5158-8703","authenticated-orcid":false,"given":"B\u00e9n\u00e9dicte","family":"Picquet-Varrault","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9810-6326","authenticated-orcid":false,"given":"Timothy J.","family":"Wallington","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"3145","published-online":{"date-parts":[[2020,6,3]]},"reference":[{"key":"ref1","unstructured":"ACD\/ChemSketch: ACD\/ChemSketch, Advanced Chemistry Development, Toronto, ON, Canada, 2018."},{"key":"ref2","doi-asserted-by":"publisher","unstructured":"Ammann, M., Cox, R. 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