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Phys."],"abstract":"<jats:p>\n                    We investigate the stationary points involving higher-energy products of the X\n                    <jats:sup>\u2212<\/jats:sup>\n                    + PH\n                    <jats:sub>2<\/jats:sub>\n                    Y [X, Y = F, Cl, Br, I] reactions by determining benchmark geometries and energies, with core-correlation, scalar relativistic, post-(T) and ZPE contributions.\n                  <\/jats:p>","DOI":"10.1039\/d3cp03733a","type":"journal-article","created":{"date-parts":[[2023,10,2]],"date-time":"2023-10-02T07:27:19Z","timestamp":1696231639000},"page":"28925-28940","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Phosphorus-centered ion\u2013molecule reactions: benchmark\n                    <i>ab initio<\/i>\n                    characterization of the potential energy surfaces of the X\n                    <sup>\u2212<\/sup>\n                    + PH\n                    <sub>2<\/sub>\n                    Y [X, Y = F, Cl, Br, I] systems"],"prefix":"10.1039","volume":"25","author":[{"given":"Boldizs\u00e1r","family":"Ballay","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\/0000-0002-2426-9747","authenticated-orcid":false,"given":"T\u00edmea","family":"Sz\u0171cs","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\/0000-0003-1951-7619","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":[[2023]]},"reference":[{"key":"D3CP03733A\/cit1\/1","doi-asserted-by":"crossref","first-page":"2960","DOI":"10.1021\/ar5001764","volume":"47","author":"Xie","year":"2014","journal-title":"Acc. 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K.Ingold ,  Structure and Mechanisms in Organic Chemistry ,  Cornell University Press ,  Ithaca, NY ,  1953"},{"key":"D3CP03733A\/cit7\/1","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1002\/cber.18960290127","volume":"29","author":"Walden","year":"1896","journal-title":"Ber. Dtsch. Chem. Ges."},{"key":"D3CP03733A\/cit8\/1","doi-asserted-by":"crossref","first-page":"1252","DOI":"10.1039\/jr9370001252","volume":"1937","author":"Cowdrey","year":"1937","journal-title":"J. Chem. Soc."},{"key":"D3CP03733A\/cit9\/1","doi-asserted-by":"crossref","first-page":"11258","DOI":"10.1021\/ja9620191","volume":"118","author":"Glukhovtsev","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"D3CP03733A\/cit10\/1","doi-asserted-by":"crossref","first-page":"7290","DOI":"10.1021\/jo801215z","volume":"73","author":"Bento","year":"2008","journal-title":"J. Org. 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