{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T11:09:29Z","timestamp":1790334569721,"version":"4.1.0"},"reference-count":42,"publisher":"AIP Publishing","issue":"12","funder":[{"DOI":"10.13039\/501100001409","name":"Department of Science and Technology, Ministry of Science and Technology, India","doi-asserted-by":"publisher","award":["CRG\/2022\/001425"],"award-info":[{"award-number":["CRG\/2022\/001425"]}],"id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,9,28]]},"abstract":"<jats:p>The effects of ro-vibrational excitation of reagent LiH+ on the He + LiH+(v = 0\u20134, j = 0 and v = 0, j = 1) \u2192 LiHe+(v\u2032, j\u2032) + H reaction are investigated by employing a time-dependent wave packet propagation approach and quasi-classical trajectory method. A recently developed electronic ground state potential energy surface [Rawat et\u00a0al., J. Chem. Phys. 161, 124308 (2024)] of the LiHeH+ system is employed for this purpose. Energy resolved total and state-to-state reaction probabilities, integral reaction cross sections, product diatom rotational and vibrational distributions at some selected collision energies, and state-specific rate constants are calculated to elucidate the mechanistic details of the reaction. Reagent vibrational excitations show an intriguing effect on the dynamics, whereas the effect of reagent rotation is mild. Statistical distribution of product vibration suggests an indirect mechanism through the formation of metastable collision complexes on the underlying surface during the course of the reaction.<\/jats:p>","DOI":"10.1063\/5.0350415","type":"journal-article","created":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T10:32:24Z","timestamp":1790332344000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["Effect of reagent ro-vibrational excitation on the electronic ground state dynamics of He + LiH+ \u2192 LiHe+ + H reaction"],"prefix":"10.1063","volume":"165","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-6625-3506","authenticated-orcid":false,"given":"Shreyan","family":"Guha","sequence":"first","affiliation":[{"name":"School of Chemistry, University of Hyderabad 1 , Hyderabad 500046,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-9395-8194","authenticated-orcid":false,"given":"Ajay Mohan Singh","family":"Rawat","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of Hyderabad 1 , Hyderabad 500046,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-8521-4179","authenticated-orcid":false,"given":"Sugata","family":"Goswami","sequence":"additional","affiliation":[{"name":"Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology 2 , Vellore 632014, Tamil Nadu,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-2592-8001","authenticated-orcid":false,"given":"Rinku","family":"Satpati","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of Hyderabad 1 , Hyderabad 500046,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2075-6353","authenticated-orcid":false,"given":"Susanta","family":"Mahapatra","sequence":"additional","affiliation":[{"name":"School of Chemistry, University of Hyderabad 1 , Hyderabad 500046,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,9,25]]},"reference":[{"key":"2026092506321698900_c1","doi-asserted-by":"publisher","first-page":"505","DOI":"10.1103\/physrev.74.505.2","volume":"74","year":"1948","journal-title":"Phys. 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