{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T17:39:50Z","timestamp":1772127590736,"version":"3.50.1"},"reference-count":110,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2021,5,24]],"date-time":"2021-05-24T00:00:00Z","timestamp":1621814400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,5,24]],"date-time":"2021-05-24T00:00:00Z","timestamp":1621814400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,5,24]],"date-time":"2021-05-24T00:00:00Z","timestamp":1621814400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100006132","name":"Office of Science","doi-asserted-by":"publisher","award":["DE-AC02-05CH11231"],"award-info":[{"award-number":["DE-AC02-05CH11231"]}],"id":[{"id":"10.13039\/100006132","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006132","name":"Office of Science","doi-asserted-by":"publisher","award":["DE-SC0019490"],"award-info":[{"award-number":["DE-SC0019490"]}],"id":[{"id":"10.13039\/100006132","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["ACI-1053575"],"award-info":[{"award-number":["ACI-1053575"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE-1801971"],"award-info":[{"award-number":["CHE-1801971"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2021,7,13]]},"DOI":"10.1021\/acs.jctc.1c00069","type":"journal-article","created":{"date-parts":[[2021,5,24]],"date-time":"2021-05-24T16:42:31Z","timestamp":1621874551000},"page":"3931-3945","source":"Crossref","is-referenced-by-count":18,"title":["Highly Accurate Many-Body Potentials for Simulations of N\n                    <sub>2<\/sub>\n                    O\n                    <sub>5<\/sub>\n                    in Water: Benchmarks, Development, and Validation"],"prefix":"10.1021","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4739-5447","authenticated-orcid":true,"given":"Vin\u00edcius Wilian D.","family":"Cruzeiro","sequence":"first","affiliation":[{"name":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States"},{"name":"Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eleftherios","family":"Lambros","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marc","family":"Riera","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ronak","family":"Roy","sequence":"additional","affiliation":[{"name":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4451-1203","authenticated-orcid":true,"given":"Francesco","family":"Paesani","sequence":"additional","affiliation":[{"name":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States"},{"name":"Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States"},{"name":"Materials Science and Engineering, University of California San Diego, La Jolla, California 92093, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8048-6906","authenticated-orcid":true,"given":"Andreas W.","family":"G\u00f6tz","sequence":"additional","affiliation":[{"name":"San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2021,5,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1029\/92jd02979"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1029\/2005gl022469"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.5194\/acp-10-7409-2010"},{"key":"ref4\/cit4","volume-title":"Atmospheric Chemistry and Physics: From Air Pollution to Climate Change","author":"Seinfeld J. H.","year":"2016","edition":"3"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/c8cp03022g"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1080\/02786826.2010.551672"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs35181a"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs35052a"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/1.466433"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/a906864c"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1063\/1.472586"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jp992526f"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/(sici)1097-461x(1999)75:4\/5<683::aid-qua35>3.0.co;2-f"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/b208936j"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/s0009-2614(97)01382-1"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0904195106"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/b001497o"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/jp509301t"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/jp994279l"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.5194\/acp-9-8351-2009"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1002\/2018jd028336"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.5194\/acp-17-6493-2017"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1063\/1.5022389"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0500193102"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/14\/50\/202"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1039\/c9sc03291f"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0337-2"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/pt.3.4164"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-12875-2"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2019.00809"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.8b00437"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.98.146401"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/c6sc05720a"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aav6490"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.120.143001"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-10827-4"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.6b00285"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.4739254"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ct600253j"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.4742816"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/ct400863t"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ct500079y"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ct5004115"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1080\/01442350903234923"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-050317-021139"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/1.5123999"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.476513"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.5024577"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.5126216"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/cr500455b"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/ar500088d"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.4885846"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/cr200093j"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00644"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/1.4967719"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1914254116"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1080\/23746149.2019.1631212"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.4993213"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00302"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01175"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c08728"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00418"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b00899"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b00816"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-019-0220-2"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.8b03829"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.8b04106"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1007\/bf01340511"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1098\/rspa.1938.0173"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b09562"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1039\/c6cp02553f"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1063\/1.2895750"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.1447904"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.2837299"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1063\/1.478797"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(81)85176-2"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.473987"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1063\/1.447150"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.7b00207"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1063\/1.5023802"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1063\/1.4952647"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1063\/1.462569"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110311"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2014.952696"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2018.1535143"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1063\/1.465038"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1063\/1.2768530"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1063\/1.1884601"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1063\/1.1949201"},{"key":"ref91\/cit91","unstructured":"MBX GitHub Page. https:\/\/github.com\/paesanilab\/MBX (accessed May 4, 2021)."},{"key":"ref92\/cit92","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.\n                      Gaussian 09\n                      Revision A.02, Wallingford, 2009."},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1038\/sdata.2017.193"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00174"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.93"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1080\/00268977000101561"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/ct300780u"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1021\/ct400250u"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1016\/s0009-2614(99)00179-7"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1021\/ct100396y"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1712499114"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1021\/jp510896n"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1137\/0906042"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1137\/0801023"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1126\/science.abd7716"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1021\/jp9503829"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1021\/jp054183t"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1016\/j.atmosenv.2006.06.048"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1039\/c7cs00008a"},{"key":"ref110\/cit110","volume-title":"Data from: Highly Accurate Many-Body Potentials for Simulations of N2O5 in Water: Benchmarks, Development and Validation","author":"Cruzeiro V. W. D.","year":"2021"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.1c00069","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T05:10:52Z","timestamp":1682399452000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.1c00069"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,5,24]]},"references-count":110,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2021,7,13]]}},"alternative-id":["10.1021\/acs.jctc.1c00069"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.1c00069","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv.13613678.v1","asserted-by":"object"}]},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,5,24]]}}}