{"id":"https://openalex.org/W2956582015","doi":"https://doi.org/10.5194/acp-20-1183-2020","title":"Peroxy radical chemistry and the volatility basis set","display_name":"Peroxy radical chemistry and the volatility basis set","publication_year":2020,"publication_date":"2020-01-31","ids":{"openalex":"https://openalex.org/W2956582015","doi":"https://doi.org/10.5194/acp-20-1183-2020","mag":"2956582015"},"language":"en","primary_location":{"id":"doi:10.5194/acp-20-1183-2020","doi":"https://doi.org/10.5194/acp-20-1183-2020","is_oa":true,"landing_page_url":"https://doi.org/10.5194/acp-20-1183-2020","pdf_url":"https://acp.copernicus.org/articles/20/1183/2020/acp-20-1183-2020.pdf","source":{"id":"https://openalex.org/S162708223","display_name":"Atmospheric chemistry and physics","issn_l":"1680-7316","issn":["1680-7316","1680-7324"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-b","jufo-3","norway-2","oarl","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310313756","host_organization_name":"Copernicus Publications","host_organization_lineage":["https://openalex.org/P4310313756"],"host_organization_lineage_names":["Copernicus Publications"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Atmospheric Chemistry and Physics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://acp.copernicus.org/articles/20/1183/2020/acp-20-1183-2020.pdf","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5038957567","display_name":"Meredith Schervish","orcid":"https://orcid.org/0009-0002-3365-9007","observed_orcids":["https://orcid.org/0009-0002-3365-9007"]},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Meredith Schervish","raw_affiliation_strings":["Center for Atmospheric Particle Studies, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Atmospheric Particle Studies, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA","institution_ids":["https://openalex.org/I74973139"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5041685684","display_name":"Neil M. Donahue","orcid":"https://orcid.org/0000-0003-3054-2364","observed_orcids":["https://orcid.org/0000-0003-3054-2364"]},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Neil M. Donahue","raw_affiliation_strings":["Center for Atmospheric Particle Studies, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA"],"raw_orcid":"https://orcid.org/0000-0003-3054-2364","affiliations":[{"raw_affiliation_string":"Center for Atmospheric Particle Studies, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA","institution_ids":["https://openalex.org/I74973139"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5038957567","https://openalex.org/A5041685684"],"corresponding_institution_ids":["https://openalex.org/I74973139"],"apc_list":{"value":1600,"currency":"EUR","value_usd":1725},"apc_paid":{"value":1600,"currency":"EUR","value_usd":1725},"fwci":10.3754,"has_fulltext":true,"cited_by_count":185,"citation_normalized_percentile":{"value":0.99334428,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"20","issue":"2","first_page":"1183","last_page":"1199"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10075","display_name":"Atmospheric chemistry and aerosols","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10075","display_name":"Atmospheric chemistry and aerosols","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10117","display_name":"Advanced Combustion Engine Technologies","score":0.0010999999940395355,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10347","display_name":"Atmospheric aerosols and clouds","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2306","display_name":"Global and Planetary Change"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/peroxyl-radicals","display_name":"peroxy radicals","score":0.8970000147819519},{"id":"https://openalex.org/keywords/volatility-basis-set","display_name":"volatility basis set","score":0.8169999718666077},{"id":"https://openalex.org/keywords/autoxidation","display_name":"autoxidation","score":0.871999979019165},{"id":"https://openalex.org/keywords/highly-oxygenated-organic-molecules","display_name":"highly oxygenated organic molecules","score":0.9110000133514404},{"id":"https://openalex.org/keywords/secondary-organic-aerosol","display_name":"secondary organic aerosol","score":0.8769999742507935},{"id":"https://openalex.org/keywords/new-particle-formation","display_name":"new particle formation","score":0.9860000014305115},{"id":"https://openalex.org/keywords/temperature-dependence","display_name":"temperature dependence","score":0.9480000138282776}],"concepts":[{"id":"https://openalex.org/C37329643","wikidata":"https://www.wikidata.org/wiki/Q789331","display_name":"Autoxidation","level":2,"score":0.9871764183044434},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7958345413208008},{"id":"https://openalex.org/C91602232","wikidata":"https://www.wikidata.org/wiki/Q756115","display_name":"Volatility (finance)","level":2,"score":0.7719689011573792},{"id":"https://openalex.org/C203032635","wikidata":"https://www.wikidata.org/wiki/Q20962970","display_name":"NOx","level":3,"score":0.5809576511383057},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.5351245403289795},{"id":"https://openalex.org/C2779345167","wikidata":"https://www.wikidata.org/wiki/Q104541","display_name":"Aerosol","level":2,"score":0.4654684066772461},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4477522075176239},{"id":"https://openalex.org/C540031477","wikidata":"https://www.wikidata.org/wiki/Q629","display_name":"Oxygen","level":2,"score":0.4445975124835968},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.38957783579826355},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C106159729","wikidata":"https://www.wikidata.org/wiki/Q2294553","display_name":"Financial economics","level":1,"score":0.0},{"id":"https://openalex.org/C105923489","wikidata":"https://www.wikidata.org/wiki/Q133235","display_name":"Combustion","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.5194/acp-20-1183-2020","doi":"https://doi.org/10.5194/acp-20-1183-2020","is_oa":true,"landing_page_url":"https://doi.org/10.5194/acp-20-1183-2020","pdf_url":"https://acp.copernicus.org/articles/20/1183/2020/acp-20-1183-2020.pdf","source":{"id":"https://openalex.org/S162708223","display_name":"Atmospheric chemistry and physics","issn_l":"1680-7316","issn":["1680-7316","1680-7324"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-b","jufo-3","norway-2","oarl","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310313756","host_organization_name":"Copernicus Publications","host_organization_lineage":["https://openalex.org/P4310313756"],"host_organization_lineage_names":["Copernicus Publications"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Atmospheric Chemistry and Physics","raw_type":"journal-article"},{"id":"doi:10.5194/acp-2019-509","doi":"https://doi.org/10.5194/acp-2019-509","is_oa":true,"landing_page_url":"https://doi.org/10.5194/acp-2019-509","pdf_url":"https://doi.org/10.5194/acp-2019-509","source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},{"id":"pmh:oai:doaj.org/article:cf7d26817358431c918f152494be12f3","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/cf7d26817358431c918f152494be12f3","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Atmospheric Chemistry and Physics, Vol 20, Pp 1183-1199 (2020)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.5194/acp-20-1183-2020","doi":"https://doi.org/10.5194/acp-20-1183-2020","is_oa":true,"landing_page_url":"https://doi.org/10.5194/acp-20-1183-2020","pdf_url":"https://acp.copernicus.org/articles/20/1183/2020/acp-20-1183-2020.pdf","source":{"id":"https://openalex.org/S162708223","display_name":"Atmospheric chemistry and physics","issn_l":"1680-7316","issn":["1680-7316","1680-7324"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-b","jufo-3","norway-2","oarl","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310313756","host_organization_name":"Copernicus Publications","host_organization_lineage":["https://openalex.org/P4310313756"],"host_organization_lineage_names":["Copernicus Publications"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Atmospheric Chemistry and Physics","raw_type":"journal-article"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"display_name":"Clean water and sanitation","score":0.49000000953674316,"id":"https://metadata.un.org/sdg/6"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G3372749960","display_name":"Understanding Formation of Condensible Organics from Photochemical Oxidation During New-Particle Formation Experiments","funder_award_id":"1801897","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2956582015.pdf","grobid_xml":"https://content.openalex.org/works/W2956582015.grobid-xml"},"referenced_works_count":42,"referenced_works":["https://openalex.org/W1496972909","https://openalex.org/W1835168164","https://openalex.org/W1968862760","https://openalex.org/W1979276756","https://openalex.org/W1991761603","https://openalex.org/W2025498983","https://openalex.org/W2031457789","https://openalex.org/W2045617521","https://openalex.org/W2046884997","https://openalex.org/W2052986488","https://openalex.org/W2067375542","https://openalex.org/W2077425974","https://openalex.org/W2083143793","https://openalex.org/W2084099103","https://openalex.org/W2091700437","https://openalex.org/W2093204787","https://openalex.org/W2093239371","https://openalex.org/W2098555543","https://openalex.org/W2126900755","https://openalex.org/W2127281457","https://openalex.org/W2138488118","https://openalex.org/W2141507669","https://openalex.org/W2144923407","https://openalex.org/W2158955296","https://openalex.org/W2168225205","https://openalex.org/W2320712911","https://openalex.org/W2333594461","https://openalex.org/W2402503711","https://openalex.org/W2402991992","https://openalex.org/W2498665214","https://openalex.org/W2511217667","https://openalex.org/W2618407015","https://openalex.org/W2678818969","https://openalex.org/W2771671468","https://openalex.org/W2794087825","https://openalex.org/W2797722950","https://openalex.org/W2888782805","https://openalex.org/W2904912335","https://openalex.org/W2917630884","https://openalex.org/W2934118970","https://openalex.org/W2956582015","https://openalex.org/W4235888992"],"related_works":["https://openalex.org/W6959979558","https://openalex.org/W4396543013","https://openalex.org/W2896785715","https://openalex.org/W1496972909","https://openalex.org/W6949457610","https://openalex.org/W2901630495","https://openalex.org/W6946241932","https://openalex.org/W2141507669","https://openalex.org/W7221530887","https://openalex.org/W3216268555"],"abstract_inverted_index":{"Abstract.":[0],"Gas-phase":[1],"auto-oxidation":[2,100],"of":[3,28,58,83],"organics":[4],"can":[5,72,98],"generate":[6],"highly-oxygenated":[7],"organic":[8,15],"molecules":[9],"(HOMs)":[10],"and":[11,18,65,80,95],"thus":[12],"increase":[13],"secondary":[14],"aerosol":[16],"production":[17],"enable":[19],"new-particle":[20],"formation.":[21],"Here":[22],"we":[23],"present":[24],"a":[25,46],"new":[26],"implementation":[27],"the":[29,78,91,106],"Volatility":[30],"Basis":[31],"Set":[32],"(VBS)":[33],"that":[34,87,96],"explicitly":[35],"resolves":[36],"peroxy":[37],"radicals":[38],"(RO2)":[39],"formed":[40],"via":[41],"auto-oxidation.":[42],"The":[43,68],"model":[44],"includes":[45],"strong":[47],"temperature":[48,79,88],"dependence":[49,82],"for":[50],"auto":[51],"oxidation":[52],"as":[53,55],"well":[54],"explicit":[56],"termination":[57],"RO2,":[59],"including":[60],"reactions":[61,71],"with":[62],"NO,":[63],"HO2,":[64],"other":[66],"RO2.":[67],"RO2":[69],"cross":[70],"produce":[73],"dimers":[74],"(ROOR).":[75],"We":[76],"explore":[77],"NOx":[81],"this":[84],"chemistry,":[85],"showing":[86],"strongly":[89],"influences":[90],"intrinsic":[92],"volatility":[93],"distribution":[94],"NO":[97],"suppress":[99],"under":[101],"conditions":[102],"typically":[103],"found":[104],"in":[105],"atmosphere.":[107]},"counts_by_year":[{"year":2026,"cited_by_count":13},{"year":2025,"cited_by_count":16},{"year":2024,"cited_by_count":27},{"year":2023,"cited_by_count":25},{"year":2022,"cited_by_count":54},{"year":2021,"cited_by_count":40},{"year":2020,"cited_by_count":8},{"year":2019,"cited_by_count":2}],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2019-07-23T00:00:00"}
