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Phys."],"abstract":"<jats:p>\n                    We report benchmark relative energies for the stationary points of the Cl + CH\n                    <jats:sub>3<\/jats:sub>\n                    X [X = F, Cl, Br, I] reactions considering four reaction pathways as well as core-correlation, post-(T), basis-set, scalar relativistic, spin\u2013orbit and ZPE contributions.\n                  <\/jats:p>","DOI":"10.1039\/d4cp01578a","type":"journal-article","created":{"date-parts":[[2024,6,3]],"date-time":"2024-06-03T08:40:49Z","timestamp":1717404049000},"page":"17695-17706","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Benchmark\n                    <i>ab initio<\/i>\n                    characterization of the multi-channel Cl + CH\n                    <sub>3<\/sub>\n                    X [X = F, Cl, Br, I] reactive potential energy surfaces"],"prefix":"10.1039","volume":"26","author":[{"given":"Dorina R.","family":"G\u00e1l","sequence":"first","affiliation":[{"name":"MTA-SZTE Lend\u00fclet Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich B\u00e9la t\u00e9r 1, Szeged H-6720, Hungary"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1951-7619","authenticated-orcid":false,"given":"D\u00f3ra","family":"Papp","sequence":"additional","affiliation":[{"name":"MTA-SZTE Lend\u00fclet Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich B\u00e9la t\u00e9r 1, Szeged H-6720, Hungary"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5136-4777","authenticated-orcid":false,"given":"G\u00e1bor","family":"Czak\u00f3","sequence":"additional","affiliation":[{"name":"MTA-SZTE Lend\u00fclet Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich B\u00e9la t\u00e9r 1, Szeged H-6720, Hungary"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2024]]},"reference":[{"key":"D4CP01578A\/cit1\/1","doi-asserted-by":"crossref","first-page":"2932","DOI":"10.1063\/1.434362","volume":"66","author":"Persky","year":"1977","journal-title":"J. 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