{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,30]],"date-time":"2026-08-30T09:29:40Z","timestamp":1788082180181,"version":"build-2784847793"},"reference-count":48,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2016,9,1]],"date-time":"2016-09-01T00:00:00Z","timestamp":1472688000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"NSFC","doi-asserted-by":"crossref","award":["21337001"],"award-info":[{"award-number":["21337001"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"NSFC","doi-asserted-by":"crossref","award":["21377073"],"award-info":[{"award-number":["21377073"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"NSFC","doi-asserted-by":"crossref","award":["21477066"],"award-info":[{"award-number":["21477066"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100013286","name":"Research Fund for the Doctoral Program of Higher Education of China","doi-asserted-by":"crossref","award":["20130131110058"],"award-info":[{"award-number":["20130131110058"]}],"id":[{"id":"10.13039\/501100013286","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Science of The Total Environment"],"published-print":{"date-parts":[[2016,9]]},"DOI":"10.1016\/j.scitotenv.2016.01.089","type":"journal-article","created":{"date-parts":[[2016,5,8]],"date-time":"2016-05-08T14:40:27Z","timestamp":1462718427000},"page":"1008-1015","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":71,"special_numbering":"C","title":["Atmospheric oxidation of phenanthrene initiated by OH radicals in the presence of O2 and NOx \u2014 A theoretical study"],"prefix":"10.1016","volume":"563-564","author":[{"given":"Nan","family":"Zhao","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qingzhu","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenxing","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.scitotenv.2016.01.089_bb0005","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/j.atmosenv.2013.04.068","article-title":"Using atmospheric measurements of PAH and quinone compounds at roadside and urban background sites to assess sources and reactivity","volume":"77","author":"Alam","year":"2013","journal-title":"Atmos. Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0010","doi-asserted-by":"crossref","first-page":"3559","DOI":"10.1021\/jp054301c","article-title":"Kinetics of OH radical reaction with anthracene and anthracene-d10","volume":"110","author":"Ananthula","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0015","doi-asserted-by":"crossref","first-page":"4605","DOI":"10.1021\/cr0206420","article-title":"Atmospheric degradation of volatile organic compounds","volume":"103","author":"Atkinson","year":"2003","journal-title":"Chem. Rev."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0020","doi-asserted-by":"crossref","first-page":"4605","DOI":"10.1021\/cr0206420","article-title":"Atmospheric degradation of volatile organic compounds","volume":"103","author":"Atkinson","year":"2003","journal-title":"Chem. Rev."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0025","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1080\/10406630601134243","article-title":"Mechanisms of the gas-phase reactions of aromatic hydrocarbons and PAHs with OH and NO3 radicals","volume":"27","author":"Atkinson","year":"2007","journal-title":"Polycycl. Aromat. Compd."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0030","doi-asserted-by":"crossref","first-page":"515","DOI":"10.1016\/S0045-6535(02)00389-2","article-title":"Soot-water distribution coefficients for polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans and polybrominated diphenylethers determined with the soot cosolvencycolumn method","volume":"49","author":"Barring","year":"2002","journal-title":"Chemosphere"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0035","doi-asserted-by":"crossref","first-page":"298","DOI":"10.1016\/0022-2852(72)90108-7","article-title":"A vibrational analysis for phenanthrene","volume":"44","author":"Bree","year":"1972","journal-title":"J. Mol. Spectrosc."},{"issue":"11","key":"10.1016\/j.scitotenv.2016.01.089_bb0040","doi-asserted-by":"crossref","first-page":"6393","DOI":"10.1021\/es300301k","article-title":"Polycyclic aromatic hydrocarbon emissions from the combustion of alternative fuels in a gas turbine engine","volume":"46","author":"Christie","year":"2012","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0045","doi-asserted-by":"crossref","first-page":"12363","DOI":"10.1021\/ja0485412","article-title":"Cycloalkene ozonolysis: collisionally mediated mechanistic branching","volume":"126","author":"Chuong","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0050","doi-asserted-by":"crossref","first-page":"3904","DOI":"10.1021\/es061946x","article-title":"SOA formation by biogenic and carbonyl compounds: data evaluation and application","volume":"41","author":"Ervens","year":"2007","journal-title":"Environ. Sci. Technol."},{"issue":"8","key":"10.1016\/j.scitotenv.2016.01.089_bb0055","doi-asserted-by":"crossref","first-page":"1231","DOI":"10.1016\/S1352-2310(98)00275-1","article-title":"Modeling the formation, decay, and partitioning of semivolatile nitro-polycyclic aromatic hydrocarbons (nitronaphthalenes) in the atmosphere","volume":"33","author":"Feilberg","year":"1999","journal-title":"Atmos. Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0060","doi-asserted-by":"crossref","first-page":"1347","DOI":"10.1126\/science.210.4476.1347","article-title":"Atmospheric epoxidation of benzo[alpha]pyrene by ozone-formation of the metabolite benzo[alpha]pyrene-4,5-oxide","volume":"210","author":"Finlayson-Pitts","year":"1980","journal-title":"Science"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0065","series-title":"Gaussian 09, Revision A. 02","first-page":"271","volume":"Vol. 270","author":"Frisch","year":"2009"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0070","doi-asserted-by":"crossref","first-page":"8348","DOI":"10.1021\/jacs.5b04051","article-title":"Photosensitized production of atmospherically reactive organic compounds at the air\/aqueous interface","volume":"137","author":"Fu","year":"2015","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0075","doi-asserted-by":"crossref","first-page":"9545","DOI":"10.1021\/jp3051033","article-title":"MESMER: an open-source master equation solver for multi-energy well reactions","volume":"116","author":"Glowacki","year":"2012","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0080","doi-asserted-by":"crossref","first-page":"2154","DOI":"10.1063\/1.456010","article-title":"An improved algorithm for reaction path following","volume":"90","author":"Gonzalez","year":"1989","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0085","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/0048-9697(94)90368-9","article-title":"OH radical-initiated gas-phase reaction products of phenanthrene","volume":"148","author":"Helmig","year":"1994","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0090","doi-asserted-by":"crossref","first-page":"1053","DOI":"10.5194\/acp-5-1053-2005","article-title":"Organic aerosol and global climate modelling: a review","volume":"5","author":"Kanakidou","year":"2005","journal-title":"Atmos. Chem. Phys."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0095","doi-asserted-by":"crossref","first-page":"913","DOI":"10.1021\/jp908530s","article-title":"Chemical composition of gas- and aerosol-phase products from the photooxidation of naphthalene","volume":"114","author":"Kautzman","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0100","doi-asserted-by":"crossref","first-page":"9333","DOI":"10.1039\/c3cs60147a","article-title":"Chemical reactivity and long-range transport potential of polycyclic aromatic hydrocarbons - a review","volume":"42","author":"Keyte","year":"2013","journal-title":"Chem. Soc. Rev."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0105","doi-asserted-by":"crossref","first-page":"4291","DOI":"10.1021\/jp7111022","article-title":"Efficient photodegradation of phenanthrene under visible light irradiation via photosensitized electron transfer","volume":"112","author":"Kou","year":"2008","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0110","doi-asserted-by":"crossref","first-page":"2469","DOI":"10.1016\/j.atmosenv.2010.03.008","article-title":"Formation of oxidized products from the reaction of gaseous phenanthrene with the OH radical in a reaction chamber","volume":"44","author":"Lee","year":"2010","journal-title":"Atmos. Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0115","doi-asserted-by":"crossref","first-page":"6603","DOI":"10.1021\/jp034159k","article-title":"Rate constants for the gas-phase reactions of methylphenanthrenes with OH as a function of temperature","volume":"107","author":"Lee","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0120","doi-asserted-by":"crossref","first-page":"8256","DOI":"10.1021\/es0716249","article-title":"Atmospheric polycyclic aromatic hydrocarbons in north China: a winter-time study","volume":"41","author":"Liu","year":"2007","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0125","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1002\/bbpc.19830870805","article-title":"Kinetics of the reactions of hydroxyl radicals with benzene, benzene-d6 and naphthalene","volume":"87","author":"Lorenz","year":"1983","journal-title":"Ber. Bunsen Ges."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0130","doi-asserted-by":"crossref","first-page":"15358","DOI":"10.1021\/jp960598q","article-title":"Structure and vibrational spectrum of some polycyclic aromatic compounds studied by density functional theory. 1. Naphthalene, azulene, phenanthrene, and anthracene","volume":"100","author":"Martin","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0135","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1021\/je60066a022","article-title":"Vapor-pressures and derived enthalpies of vaporization for some condensed-ring hydrocarbons","volume":"20","author":"Osborn","year":"1975","journal-title":"J. Chem. Eng. Data"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0140","doi-asserted-by":"crossref","first-page":"296","DOI":"10.1021\/j100519a004","article-title":"Kinetics and mechanism of the gas phase reaction of hydroxyl radicals with aromatic hydrocarbons over the temperature range 296\u2013473K","volume":"81","author":"Perry","year":"1977","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0145","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1126\/science.269.5221.187","article-title":"Atmospheric trends and lifetime of CH3CCl3 and global OH concerns","volume":"269","author":"Prinn","year":"1995","journal-title":"Science"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0150","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1021\/es035454l","article-title":"Atmospheric reactions influence seasonal PAH and nitro-PAH concentrations in the Los Angeles basin","volume":"39","author":"Reisen","year":"2004","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0155","series-title":"Unimolecular Reactions","author":"Robinson","year":"1972"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0160","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1016\/j.tox.2004.04.016","article-title":"An examination of quinone toxicity using the yeast Saccharomyces cerevisiae model system","volume":"201","author":"Rodriguez","year":"2004","journal-title":"Toxicology"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0165","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/j.cbi.2005.05.002","article-title":"The interactions of 9,10-phenanthrenequinone with glyceraldehyde-3-phosphate dehydrogenase (GAPDH): a potential site for toxic actions","volume":"155","author":"Rodriguez","year":"2005","journal-title":"Chem. Biol. Interact."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0170","series-title":"Atmospheric Chemistry and Physics","author":"Seinfeld","year":"2006"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0175","doi-asserted-by":"crossref","first-page":"13719","DOI":"10.1039\/C5CP01934F","article-title":"Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals: the O2 addition reaction pathways","volume":"17","author":"Shiroudi","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0180","doi-asserted-by":"crossref","first-page":"801","DOI":"10.1016\/j.atmosenv.2004.10.040","article-title":"Endocrine disrupting chemical emissions from combustion sources: diesel particulate emissions and domestic waste open burn emissions","volume":"39","author":"Sidhu","year":"2005","journal-title":"Atmos. Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0185","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/j.scitotenv.2003.08.022","article-title":"Gas\/particle partitioning of seven volatile polycyclic aromatic hydrocarbons in a heavy traffic urban area","volume":"327","author":"Sitaras","year":"2004","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0190","doi-asserted-by":"crossref","first-page":"605","DOI":"10.1107\/S0365110X63001626","article-title":"The crystal and molecular structure of phenanthrene","volume":"16","author":"Trotter","year":"1963","journal-title":"Acta Crystallogr."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0195","doi-asserted-by":"crossref","first-page":"12771","DOI":"10.1021\/jp953748q","article-title":"Current status of transition-state theory","volume":"100","author":"Truhlar","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0200","doi-asserted-by":"crossref","first-page":"1831","DOI":"10.1016\/j.atmosenv.2009.12.004","article-title":"Oxygenated polycyclic aromatic hydrocarbons in atmospheric particulate matter: molecular characterization and occurrence","volume":"44","author":"Walgraeve","year":"2010","journal-title":"Atmos. Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0205","doi-asserted-by":"crossref","first-page":"2025","DOI":"10.1016\/j.atmosenv.2006.11.008","article-title":"Formation of 9,10-phenanthrenequinone by atmospheric gas-phase reactions of phenanthrene","volume":"41","author":"Wang","year":"2007","journal-title":"Atmos. Environ."},{"issue":"8","key":"10.1016\/j.scitotenv.2016.01.089_bb0210","doi-asserted-by":"crossref","first-page":"2803","DOI":"10.1021\/es0628102","article-title":"Dicarbonyl products of the OH radical-initiated reactions of naphthalene and the C1- and C2-alkylnaphthalenes","volume":"41","author":"Wang","year":"2007","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0215","doi-asserted-by":"crossref","first-page":"2942","DOI":"10.1016\/j.scitotenv.2011.04.021","article-title":"Atmospheric concentrations and air-soil gas exchange of polycyclic aromatic hydrocarbons (PAHs) in remote, rural village and urban areas of Beijing-Tianjin region, North China","volume":"409","author":"Wang","year":"2011","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0220","doi-asserted-by":"crossref","first-page":"3462","DOI":"10.1063\/1.449151","article-title":"Unimolecular reaction rate theory for transition states of partial looseness. II. Implementation and analysis with applications to NO2 and C2H6 dissociations","volume":"83","author":"Wardlaw","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0225","doi-asserted-by":"crossref","first-page":"4533","DOI":"10.1021\/jp500077f","article-title":"Atmospheric oxidation mechanism of toluene","volume":"118","author":"Wu","year":"2014","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0230","doi-asserted-by":"crossref","first-page":"5051","DOI":"10.1021\/es500453g","article-title":"Role of water molecule in the gas-phase formation process of nitrated polycyclic aromatic hydrocarbons in the atmosphere","volume":"48","author":"Zhang","year":"2014","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0235","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao","year":"2008","journal-title":"Theor. Chem. Accounts"},{"key":"10.1016\/j.scitotenv.2016.01.089_bb0240","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1080\/10406638.2012.683467","article-title":"Gas-particle partitioning of PAHs in the urban air of Dalian, China: measurements and assessments","volume":"33","author":"Zhou","year":"2013","journal-title":"Polycycl. Aromat. Compd."}],"container-title":["Science of The Total Environment"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0048969716300973?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0048969716300973?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2019,11,1]],"date-time":"2019-11-01T18:29:57Z","timestamp":1572632997000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0048969716300973"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,9]]},"references-count":48,"alternative-id":["S0048969716300973"],"URL":"https:\/\/doi.org\/10.1016\/j.scitotenv.2016.01.089","relation":{},"ISSN":["0048-9697"],"issn-type":[{"value":"0048-9697","type":"print"}],"subject":[],"published":{"date-parts":[[2016,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Atmospheric oxidation of phenanthrene initiated by OH radicals in the presence of O2 and NOx \u2014 A theoretical study","name":"articletitle","label":"Article Title"},{"value":"Science of The Total Environment","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.scitotenv.2016.01.089","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2016 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}]}}