{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,27]],"date-time":"2026-08-27T00:48:55Z","timestamp":1787791735214,"version":"build-2784847793"},"reference-count":80,"publisher":"American Chemical Society (ACS)","issue":"49","license":[{"start":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T00:00:00Z","timestamp":1763942400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T00:00:00Z","timestamp":1763942400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T00:00:00Z","timestamp":1763942400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100005668","name":"Funda??o de Apoio ? Pesquisa do Distrito Federal","doi-asserted-by":"publisher","award":["00193-00000867\/21024-94"],"award-info":[{"award-number":["00193-00000867\/21024-94"]}],"id":[{"id":"10.13039\/501100005668","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004562","name":"Minist?re de l'Enseignement sup?rieur et de la Recherche","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004562","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100010190","name":"Grand ?quipement National De Calcul Intensif","doi-asserted-by":"publisher","award":["A0150707156"],"award-info":[{"award-number":["A0150707156"]}],"id":[{"id":"10.13039\/501100010190","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior","doi-asserted-by":"publisher","award":["00193-00000867\/21024-94"],"award-info":[{"award-number":["00193-00000867\/21024-94"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Programa de Desenvolvimento da P?s-Gradua??o","award":["00193-00000867\/21024-94"],"award-info":[{"award-number":["00193-00000867\/21024-94"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2025,12,11]]},"DOI":"10.1021\/acs.jpca.5c07004","type":"journal-article","created":{"date-parts":[[2025,11,25]],"date-time":"2025-11-25T04:50:22Z","timestamp":1764046222000},"page":"11414-11423","source":"Crossref","is-referenced-by-count":2,"title":["Electronic Properties of SO\n                    <sub>2<\/sub>\n                    in Aqueous Nanodroplets from Machine Learning Molecular Dynamics and Electron Propagator Theory"],"prefix":"10.1021","volume":"129","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4432-9612","authenticated-orcid":true,"given":"Miguel","family":"de la Puente","sequence":"first","affiliation":[{"name":"Laboratory CPCV, Department of Chemistry, \u00c9cole Normale Sup\u00e9rieure","place":["Paris, France"]},{"name":"PSL University, Sorbonne Universit\u00e9, CNRS","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5706-9939","authenticated-orcid":true,"given":"Damien","family":"Laage","sequence":"additional","affiliation":[{"name":"Laboratory CPCV, Department of Chemistry, \u00c9cole Normale Sup\u00e9rieure","place":["Paris, France"]},{"name":"PSL University, Sorbonne Universit\u00e9, CNRS","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benedito Costa","family":"Cabral","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica","place":["Bras\u00edlia, Brazil"]},{"name":"Universidade de Bras\u00edlia","place":["Bras\u00edlia, Brazil"]},{"name":"BioSystems and Integrative Sciences Institute (BioISI), Faculdade de Ci\u00eancias","place":["Lisboa, Portugal"]},{"name":"Universidade de Lisboa","place":["Lisboa, Portugal"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,11,24]]},"reference":[{"key":"ref1\/cit1","volume-title":"Atmospheric Chemistry And Physics: From Air Pollution To Climate Change","author":"Seinfeld J. H.","year":"2006","edition":"2"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ja508989a"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b09900"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-020-0203-2"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1063\/5.0210884"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/474168a"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ja202081x"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b01820"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00765"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.2c01987"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/S0301-0104(00)00127-0"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/cr040377d"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-19143-8"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00566"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/j100023a002"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/cr0006876"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ja056478q"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp50609f"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c01472"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jp100310s"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/5.0182192"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/j100378a076"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200462883"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/cr800448q"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201602270"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1039\/C0SC00416B"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-121319-110654"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-020-00619-5"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c01721"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-083122-121620"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.4c15493"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1911883116"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2020158117"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC06465G"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.4c04694"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201703114"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0337-2"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-020-0189-9"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.1c00022"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.0c00868"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.cossms.2025.101214"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1126\/science.abd7716"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/5.0126333"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c03099"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2212250120"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c07506"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.4c03444"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.4c00113"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5c00172"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.5c02053"},{"key":"ref51\/cit51","unstructured":"Zhang, L.; Han, J.; Wang, H.; Saidi, W.; Car, R.; E, W. In\n                      End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems\n                      , Advances in Neural Information Processing Systems; NIPs, 2018."},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/5.0155600"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.80.890"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00400"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/5.0007045"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b01983"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1039\/D4DD00209A"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2021.108171"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.09.018"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1126\/science.1158722"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(87)87154-3"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c01759"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1116"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1997)63:2<291::AID-QUA2>3.0.CO;2-R"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/ct1003324"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540050204"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/cr9904009"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b01797"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/ja807111y"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.102.041121"},{"key":"ref73\/cit73","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J.\n                      Gaussian \u0303 16\n                      , 10.1063\/1.456153; Gaussian Inc.: Wallingford CT, 2016."},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.5022389"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.8b07845"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c12089"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-023-02969-y"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b08511"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202010309"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/acsphyschemau.3c00064"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c07004","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c07004","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,12,11]],"date-time":"2025-12-11T09:14:00Z","timestamp":1765444440000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.5c07004"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,11,24]]},"references-count":80,"journal-issue":{"issue":"49","published-print":{"date-parts":[[2025,12,11]]}},"alternative-id":["10.1021\/acs.jpca.5c07004"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.5c07004","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,11,24]]}}}