{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T18:47:54Z","timestamp":1792003674573,"version":"4.4.0"},"reference-count":40,"publisher":"Wiley","issue":"19","license":[{"start":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T00:00:00Z","timestamp":1790294400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T00:00:00Z","timestamp":1790294400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["CRG\/2023\/004713"],"award-info":[{"award-number":["CRG\/2023\/004713"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2026,10,14]]},"abstract":"<jats:p>\n                    The S(\n                    <jats:sup>3<\/jats:sup>\n                    <jats:italic>P<\/jats:italic>\n                    )\u2009+\u2009SD(\n                    <jats:italic>X<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    \u03a0) reaction is investigated on the ground electronic HS\n                    <jats:sub>2<\/jats:sub>\n                    potential energy surface (PES) using time\u2010dependent wave packet (TDWP) and quasiclassical trajectory (QCT) methods. Initial state\u2010selected reaction probabilities and integral cross sections are calculated for abstraction and exchange channels at collision energies up to 0.10\u2009eV. Both channels proceed without an entrance barrier through an intermediate complex, with abstraction being the dominant pathway owing to the high stability of S\n                    <jats:sub>2<\/jats:sub>\n                    . The role of reactant vibrational excitation is examined for\n                    <jats:italic>\u03bd<\/jats:italic>\n                    \u2004=\u20040, 1, 3, 5, and 10, with\n                    <jats:italic>j<\/jats:italic>\n                    \u2004=\u20040. For\n                    <jats:italic>\u03bd<\/jats:italic>\n                    \u2004=\u20040, the quantum results agree well with the classical trajectories, indicating the reaction is governed primarily by classical forces. A QCT\/QM\u2010\n                    <jats:italic>\u03b1<\/jats:italic>\n                    J extrapolation scheme is assessed against full quantum results and provides an efficient and reliable approach for estimating integral cross sections while retaining essential quantum effects. For the exchange channel, the quantum cross sections show a gradual enhancement at higher collision energies from\n                    <jats:italic>\u03bd<\/jats:italic>\n                    \u2004=\u20041, while the abstraction channel shows this enhancement only from\n                    <jats:italic>\u03bd<\/jats:italic>\n                    \u2004=\u20045 onward. At\n                    <jats:italic>\u03bd<\/jats:italic>\n                    \u2004=\u200410, they stop decreasing: the abstraction cross section increases with collision energy, whereas the exchange cross section levels off. These results demonstrate that quantum effects become important at high vibrational excitation.\n                  <\/jats:p>","DOI":"10.1002\/cphc.70577","type":"journal-article","created":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T08:58:36Z","timestamp":1790326716000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Quantum and Quasiclassical Dynamics of the S\u2009+\u2009SD Reaction: Role of Reagent Vibrational Excitation"],"prefix":"10.1002","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-5885-7248","authenticated-orcid":false,"given":"Suraj","family":"Kumar","sequence":"first","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Patna  Patna India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-4231-7063","authenticated-orcid":false,"given":"Sakshi","family":"Yadav","sequence":"additional","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Patna  Patna India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1501-3317","authenticated-orcid":false,"given":"A. J. C.","family":"Varandas","sequence":"additional","affiliation":[{"name":"School of Physics and Physical Engineering Qufu Normal University  Qufu Shandong China"},{"name":"Department of Physics Universidade Federal do Esp\u00edrito Santo  Vit\u00f3ria Brazil"},{"name":"Departamento de Qu\u00edmica and Centro de Qu\u00edmica de Coimbra Universidade de Coimbra  Coimbra Portugal"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4999-8559","authenticated-orcid":false,"given":"Tammineni Rajagopala","family":"Rao","sequence":"additional","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Patna  Patna India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,9,25]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100575a004"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1051\/0004-6361\/202555384"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp201980m"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2024.2362385"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP03929B"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1681388"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1681085"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.479703"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4613-2913-8_16"},{"key":"e_1_2_9_11_1","volume-title":"Theories of Molecular Reaction Dynamics","author":"Henriksen N. E.","year":"2011"},{"key":"e_1_2_9_12_1","unstructured":"D.Koner \u201cScattering Studies of Proton Transfer Reactions Between Rare Gas Atoms\u201d (PhD diss. Indian Institute of Technology Guwahati 2016)."},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1697301"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.5046906"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0009\u20102614(97)00881\u20106"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.08.068"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2007.03.090"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1080\/00268979500101731"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/0009\u20102614(95)00093\u2010J"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.1142\/S0219633620300013"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/qua.v32:5"},{"key":"e_1_2_9_22_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1628218"},{"key":"e_1_2_9_23_1","doi-asserted-by":"publisher","DOI":"10.1080\/03081070600933476"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1140\/epjd\/e2017\u201080439\u20104"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp504757g"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c06707"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.1140\/epjd\/e2018\u201090424\u20100"},{"key":"e_1_2_9_28_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4793395"},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3035904"},{"key":"e_1_2_9_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2017.03.003"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4905292"},{"key":"e_1_2_9_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.08.023"},{"key":"e_1_2_9_33_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3128537"},{"key":"e_1_2_9_34_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2010.11.075"},{"key":"e_1_2_9_35_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4707144"},{"key":"e_1_2_9_36_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1794655"},{"key":"e_1_2_9_37_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c03198"},{"key":"e_1_2_9_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr00058a001"},{"key":"e_1_2_9_39_1","doi-asserted-by":"publisher","DOI":"10.1016\/0009\u20102614(94)00620\u20102"},{"key":"e_1_2_9_40_1","doi-asserted-by":"publisher","DOI":"10.1080\/0144235X.2011.649999"},{"key":"e_1_2_9_41_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP02488D"}],"container-title":["ChemPhysChem"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cphc.70577","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/cphc.70577","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cphc.70577","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T18:04:15Z","timestamp":1792001055000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cphc.70577"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,25]]},"references-count":40,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2026,10,14]]}},"alternative-id":["10.1002\/cphc.70577"],"URL":"https:\/\/doi.org\/10.1002\/cphc.70577","archive":["Portico"],"relation":{},"ISSN":["1439-4235","1439-7641"],"issn-type":[{"value":"1439-4235","type":"print"},{"value":"1439-7641","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,25]]},"assertion":[{"value":"2026-07-16","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-09-09","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-09-25","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e70577"}}