{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T23:50:37Z","timestamp":1788997837306,"version":"build-2803163510"},"reference-count":76,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2025,3,7]],"date-time":"2025-03-07T00:00:00Z","timestamp":1741305600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,3,7]],"date-time":"2025-03-07T00:00:00Z","timestamp":1741305600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,3,7]],"date-time":"2025-03-07T00:00:00Z","timestamp":1741305600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100015872","name":"Universit? de Lille","doi-asserted-by":"publisher","award":["IRePSEFed 4129"],"award-info":[{"award-number":["IRePSEFed 4129"]}],"id":[{"id":"10.13039\/100015872","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["ANR-11-LABX-005-01"],"award-info":[{"award-number":["ANR-11-LABX-005-01"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100008725","name":"Agencia Nacional de Investigaci?n e Innovaci?n","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100008725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003339","name":"Consejo Superior de Investigaciones Cient?ficas","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003339","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100010095","name":"R?gion Hauts-de-France","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100010095","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002717","name":"Minist?re de l'Enseignement Sup?rieur et de la Recherche Scientifique","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002717","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100022227","name":"French Embassy in Canada - Cultural and Scientific Services","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100022227","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004794","name":"Centre National de la Recherche Scientifique","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004794","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100024018","name":"Programa de Desarrollo de las Ciencias B?sicas","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100024018","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2025,3,20]]},"DOI":"10.1021\/acs.jpca.4c07002","type":"journal-article","created":{"date-parts":[[2025,3,7]],"date-time":"2025-03-07T19:21:56Z","timestamp":1741375316000},"page":"2768-2779","source":"Crossref","is-referenced-by-count":4,"title":["Theoretical Study of the Reaction of Hydrogen Selenide with the Cl<sup>\u2022<\/sup> Atom and the <sup>\u2022<\/sup>OH Radical, and Differences with the Behavior of Other Hydrogen Chalcogenides"],"prefix":"10.1021","volume":"129","author":[{"given":"Marc E.","family":"Segovia","sequence":"first","affiliation":[{"name":"Computational Chemistry and Biology Group","place":["Montevideo, Uruguay"]},{"name":"DETEMA, Facultad de Qu\u00edmica, UdelaR","place":["Montevideo, Uruguay"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anabela","family":"Mart\u00ednez","sequence":"additional","affiliation":[{"name":"Computational Chemistry and Biology Group","place":["Montevideo, Uruguay"]},{"name":"DETEMA, Facultad de Qu\u00edmica, UdelaR","place":["Montevideo, Uruguay"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mauricio","family":"Vega-Teijido","sequence":"additional","affiliation":[{"name":"Computational Chemistry and Biology Group","place":["Montevideo, Uruguay"]},{"name":"DETEMA, Facultad de Qu\u00edmica, UdelaR","place":["Montevideo, Uruguay"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4790-4579","authenticated-orcid":true,"given":"Alejandro","family":"L. Cardona","sequence":"additional","affiliation":[{"name":"Computational Chemistry and Biology Group","place":["Montevideo, Uruguay"]},{"name":"DETEMA, Facultad de Qu\u00edmica, UdelaR","place":["Montevideo, Uruguay"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Luna","family":"Cartayrade","sequence":"additional","affiliation":[{"name":"Univ. Lille, CNRS, UMR 8522, PhysicoChimie des Processus de Combustion et de l\u2019Atmosph\u00e8re \u2212 PC2A","place":["Lille, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sonia","family":"Taamalli","sequence":"additional","affiliation":[{"name":"Univ. Lille, CNRS, UMR 8522, PhysicoChimie des Processus de Combustion et de l\u2019Atmosph\u00e8re \u2212 PC2A","place":["Lille, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9533-557X","authenticated-orcid":true,"given":"Florent","family":"Louis","sequence":"additional","affiliation":[{"name":"Univ. Lille, CNRS, UMR 8522, PhysicoChimie des Processus de Combustion et de l\u2019Atmosph\u00e8re \u2212 PC2A","place":["Lille, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5474-0061","authenticated-orcid":true,"given":"Oscar N.","family":"Ventura","sequence":"additional","affiliation":[{"name":"Computational Chemistry and Biology Group","place":["Montevideo, Uruguay"]},{"name":"DETEMA, Facultad de Qu\u00edmica, UdelaR","place":["Montevideo, Uruguay"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,3,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1089\/ars.2010.3275"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/978-94-007-4375-5_16"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1079\/BJN2000280"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.5194\/acp-20-1363-2020"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1201\/9780429423482"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.0c01408"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.5194\/acp-24-2491-2024"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms5717"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.envint.2017.12.035"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1029\/93JD01023"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1029\/JD092iD11p13289"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-0889.1985.tb00057.x"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/es500379y"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.scitotenv.2008.07.056"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemosphere.2024.141596"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1007\/s10653-018-0195-8"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.atmosenv.2007.07.035"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/es203434d"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.3c01586"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/j100402a039"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.8b03140"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201100521"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ct100466k"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.2148954"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.464303"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/qua.27069"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/qua.26745"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.2817618"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.3160675"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.2831537"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(96)00898-6"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.470645"},{"key":"ref35\/cit35","unstructured":"Frisch, M. ea.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H. Gaussian 16. Revision C. 01, 2016. https:\/\/gaussian.com\/."},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26942"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1327"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.81"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(00)00662-X"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/5.0004608"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.4890002"},{"key":"ref42\/cit42","unstructured":"Keith, T. A. AIMAll, 2019. https:\/\/aim.tkgristmill.com\/, (accessed 1\/2\/2025)."},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/B1RP90011K"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.100.020603"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.90.238302"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.202427399"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1616208113"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c02029"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1920018117"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.1539035"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/jp806617m"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.443157"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.437698"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ja00059a041"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1804453115"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b08655"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP06297A"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP07312G"},{"key":"ref59\/cit59","unstructured":"Zheng, J.; Bao, J. L.; Meana-Pa\u00f1eda, R.; Zhang, S.; Lynch, B. J.; Corchado, J. C.; Chuang, Y. Y.; Fast, P. L.; Hu, W. P.; Liu, Y. P. Polyrate 17-C: Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics, 2017. https:\/\/comp.chem.umn.edu\/polyrate\/, last (accessed 1\/2\/2025)."},{"key":"ref60\/cit60","unstructured":"Zheng, J.; Bao, J. L.; Zhang, S.; Corchado, J. C.; Meana-Pa\u00f1eda, R.; Chuang, Y. Y.; Coiti\u00f1o, E. L.; Ellingson, B. A.; Truhlar, D. G. Gaussrate 17, 2017."},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemosphere.2024.141693"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/ct400818v"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-019-4283-1"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1039\/C8NJ00553B"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201809432"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00354"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.555619"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2015.02.011"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/jp962332p"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1007\/s11434-010-3268-3"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b10008"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10327"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.3390\/sym15020256"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1038\/s41612-018-0041-9"},{"key":"ref75\/cit75","unstructured":"Sharp, T.; Stein, V. What is the average temperature on Earth? [WWW document] Space.com, https:\/\/www.space.com\/17816-earth-temperature.html, accessed 10\/15\/2024."},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1029\/JC085iC10p05639"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c07002","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c07002","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,20]],"date-time":"2025-03-20T13:19:40Z","timestamp":1742476780000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.4c07002"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,3,7]]},"references-count":76,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2025,3,20]]}},"alternative-id":["10.1021\/acs.jpca.4c07002"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.4c07002","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,3,7]]}}}