{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,27]],"date-time":"2026-07-27T13:12:50Z","timestamp":1785157970623,"version":"3.55.0"},"reference-count":87,"publisher":"American Chemical Society (ACS)","issue":"34","funder":[{"DOI":"10.13039\/100000165","name":"Division of Chemistry","doi-asserted-by":"publisher","award":["CHE-1664572"],"award-info":[{"award-number":["CHE-1664572"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-FG02-87ER13792"],"award-info":[{"award-number":["DE-FG02-87ER13792"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-AC02-06CH11357"],"award-info":[{"award-number":["DE-AC02-06CH11357"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2018,8,29]]},"DOI":"10.1021\/jacs.8b06010","type":"journal-article","created":{"date-parts":[[2018,8,3]],"date-time":"2018-08-03T12:32:22Z","timestamp":1533299542000},"page":"10866-10880","source":"Crossref","is-referenced-by-count":142,"title":["Four-Carbon Criegee Intermediate from Isoprene Ozonolysis: Methyl Vinyl Ketone Oxide Synthesis, Infrared Spectrum, and OH Production"],"prefix":"10.1021","volume":"140","author":[{"given":"Victoria P.","family":"Barber","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shubhrangshu","family":"Pandit","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amy M.","family":"Green","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nisalak","family":"Trongsiriwat","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8392-4150","authenticated-orcid":true,"given":"Patrick J.","family":"Walsh","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6297-9187","authenticated-orcid":true,"given":"Stephen J.","family":"Klippenstein","sequence":"additional","affiliation":[{"name":"Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2367-3497","authenticated-orcid":true,"given":"Marsha I.","family":"Lester","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2018,8,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.5194\/acp-14-9317-2014"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ar970143z"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/cr0206420"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/S1352-2310(03)00391-1"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP00053C"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ja011518l"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/b704260b"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1029\/2001GL013406"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ja970050c"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1029\/98JD01951"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1029\/92JD00062"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jp9916992"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/kin.550240110"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.5194\/acp-10-1441-2010"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C7FD00014F"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jp054346d"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2007.11.092"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/es00057a025"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP01091E"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP05541B"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jp004136v"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/c0cp02564j"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b05495"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP02719A"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1038\/nature11278"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b01538"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1126\/science.1261549"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1513149112"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP06446E"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP04750H"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.atmosenv.2008.01.003"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.5194\/acp-15-6745-2015"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.4979297"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.4972015"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/1.4941768"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs35070j"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.4903961"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1126\/science.1257158"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.4914987"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5b02088"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp20872a"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP02531E"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/jp105358v"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jp026868o"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1126\/science.1234689"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1126\/science.1213229"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ja310603j"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.4810865"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP04408H"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2016.04.082"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jp412726z"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.4958992"},{"key":"ref54\/cit54","volume-title":"Physical Organic Chemistry","author":"Isaacs N.","year":"1995","edition":"2"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1126\/science.1234369"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b05945"},{"key":"ref57\/cit57","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.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, \u00d6.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, Revision D.01; Gaussian, Inc.: Wallingford, CT, 2009."},{"key":"ref58\/cit58","unstructured":"Werner, H.J.; Knowles, P. J.; Knizia, G.; Manby, F.\nR.; Sch\u00fctz, M.; Celani, P.; Gy\u00f6rffy, W.; Kats, D.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G.; Shamasundar, K. R.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hesselmann, A.; Hetzer, G.; Hrenar, T.; Jansen, G.; K\u00f6ppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nickla\u00df, A.; O\u2019Neill, D. P.; Palmieri, P.; Peng, D.; Pfl\u00fcger, K.; Pitzer, R.; Reiher, M.; Shiozaki, T.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M. MOLPRO, a Package of ab initio Programs, 2015; www.molpro.net."},{"key":"ref59\/cit59","unstructured":"Stanton, J. F.; Gauss, J.; Cheng, L.; Harding, M. E.; Matthews, D. A.; Szalay, P. G.; Auer, A. A.; Bartlett, R. J.; Benedikt, U.; Berger, C.; Bernholdt, D. E.; Bomble, Y. J.; Christiansen, O.; Engel, F.; Faber, R.; Heckert, M.; Heun, O.; Hilgenberg, M.; Huber, C.; Jagau, T.C.; Jonsson, D.; Jus\u00e9lius, J.; Kirsch, T.; Klein, K.; Lauderdale, W. J.; Lipparini, F.; Metzroth, T.; M\u00fcck, L. A.; O\u2019Neill, D. P.; Price, D. R.; Prochnow, E.; Puzzarini, C.; Ruud, K.; Schiffmann, F.; Schwalbach, W.; Simmons, C.; Stopkowicz, S.; Tajti, A.; V\u00e1zquez, J.; Wang, F.; Watts, J.\nD. CFOUR, Coupled-Cluster techniques for Computational Chemistry, a Quantum-Chemical Program Package, www.cfour.de."},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ct100466k"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/1.462569"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1715014114"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780195074949.001.0001","volume-title":"Unimolecular Reaction Dynamics Theory and Experiments","author":"Baer T.","year":"1996"},{"key":"ref65\/cit65","unstructured":"Georgievskii, Y.; Klippenstein, S. J. MESS.2016.3.23; Argonne National Laboratory, 2016; http:\/\/tcg.cse.anl.gov\/papr\/codes\/mess.html."},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/jp4060704"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.430676"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/DC9776200040"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(90)87217-F"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(93)90071-8"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2010.09.015"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/jp2022743"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1002\/kin.1017"},{"key":"ref74\/cit74","unstructured":"Barker, J. R.; Nguyen, T. L.; Stanton, J. F.; Aieta, C.; Ceotto, M.; Gabas, F.; Kumar, T.\nJ. D.; Li, C.\nG. L.; Lohr, L. L.; Maranzana, A.; Ortiz, N.\nF.; Preses, J.\nM.; Simmie, J.\nM.; Sonk, J.\nA.; Stimac, P.\nJ. MultiWell-2017 Software Suite; University of Michigan, Ann Arbor, 2017; http:\/\/clasp-research.engin.umich.edu\/multiwell\/."},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1002\/kin.20447"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.8b00287"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2488"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/jp302511a"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b07712"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/jp031243r"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1002\/qua.21613"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2015.02.032"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)01373-6"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1063\/1.479126"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ja0266060"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.8b00077"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1039\/c3fd00048f"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp52842a"}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jacs.8b06010","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T05:21:47Z","timestamp":1682572907000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.8b06010"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,8,3]]},"references-count":87,"journal-issue":{"issue":"34","published-print":{"date-parts":[[2018,8,29]]}},"alternative-id":["10.1021\/jacs.8b06010"],"URL":"https:\/\/doi.org\/10.1021\/jacs.8b06010","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,8,3]]}}}