{"id":"https://openalex.org/W3023083508","doi":null,"title":"Thermodynamics of the Hydroxyl Radical Addition to Isoprene","display_name":"Thermodynamics of the Hydroxyl Radical Addition to Isoprene","publication_year":2008,"publication_date":"2008-01-01","ids":{"openalex":"https://openalex.org/W3023083508","mag":"3023083508"},"language":"en","primary_location":{"id":"pmh:oai:digitalcommons.bucknell.edu:fac_journ-1179","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.bucknell.edu/fac_journ/156","pdf_url":null,"source":{"id":"https://openalex.org/S4377196650","display_name":"Bucknell Digital Commons (Bucknell University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I131221577","host_organization_name":"Bucknell University","host_organization_lineage":["https://openalex.org/I131221577"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Journal Articles","raw_type":"text"},"volume":null,"type":"article","indexed_in":[],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5052474010","display_name":"George C. Shields","orcid":"https://orcid.org/0000-0003-1287-8585","observed_orcids":["https://orcid.org/0000-0003-1287-8585"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"George C. Shields","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-1287-8585","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020678429","display_name":"Marco A. Allodi","orcid":"https://orcid.org/0000-0002-3289-1659","observed_orcids":["https://orcid.org/0000-0002-3289-1659"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Marco A. Allodi","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0002-3289-1659","affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5000728064","display_name":"Karl N. Kirschner","orcid":"https://orcid.org/0000-0002-4581-920X","observed_orcids":["https://orcid.org/0000-0002-4581-920X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Karl N. Kirschner","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.31862207,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"7064","last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10075","display_name":"Atmospheric chemistry and aerosols","score":0.760699987411499,"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":0.760699987411499,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.08529999852180481,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10117","display_name":"Advanced Combustion Engine Technologies","score":0.06319999694824219,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/isoprene","display_name":"isoprene","score":0.7860000133514404},{"id":"https://openalex.org/keywords/hydroxyl-radicals","display_name":"hydroxyl radicals","score":0.9520000219345093},{"id":"https://openalex.org/keywords/radical-addition","display_name":"radical addition","score":0.7559999823570251},{"id":"https://openalex.org/keywords/isoprene-oxidation","display_name":"isoprene oxidation","score":0.8199999928474426},{"id":"https://openalex.org/keywords/tropospheric-ozone","display_name":"tropospheric ozone","score":0.843999981880188},{"id":"https://openalex.org/keywords/reaction-kinetics","display_name":"reaction kinetics","score":0.4569999873638153},{"id":"https://openalex.org/keywords/negative-temperature-dependence","display_name":"negative temperature dependence","score":0.7480000257492065},{"id":"https://openalex.org/keywords/pre-reactive-complexes","display_name":"pre-reactive complexes","score":0.7760000228881836},{"id":"https://openalex.org/keywords/free-energy-landscape","display_name":"free energy landscape","score":0.7390000224113464},{"id":"https://openalex.org/keywords/reaction-energy-barrier","display_name":"reaction barriers","score":0.6290000081062317},{"id":"https://openalex.org/keywords/reaction-pathways","display_name":"reaction pathways","score":0.6259999871253967},{"id":"https://openalex.org/keywords/atmospheric-chemistry","display_name":"atmospheric chemistry","score":0.5059999823570251}],"concepts":[{"id":"https://openalex.org/C2780959689","wikidata":"https://www.wikidata.org/wiki/Q271943","display_name":"Isoprene","level":4,"score":0.9501782655715942},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6017224788665771},{"id":"https://openalex.org/C2776778087","wikidata":"https://www.wikidata.org/wiki/Q427071","display_name":"Hydroxyl radical","level":3,"score":0.5476925373077393},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4715050756931305},{"id":"https://openalex.org/C139066938","wikidata":"https://www.wikidata.org/wiki/Q185056","display_name":"Radical","level":2,"score":0.43724146485328674},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2932133376598358},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.10956007242202759},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.0},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:digitalcommons.bucknell.edu:fac_journ-1179","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.bucknell.edu/fac_journ/156","pdf_url":null,"source":{"id":"https://openalex.org/S4377196650","display_name":"Bucknell Digital Commons (Bucknell University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I131221577","host_organization_name":"Bucknell University","host_organization_lineage":["https://openalex.org/I131221577"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Journal Articles","raw_type":"text"},{"id":"mag:3023083508","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.bucknell.edu/fac_journ/156/","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"The Journal of Physical Chemistry B","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1973004262","https://openalex.org/W2143632544","https://openalex.org/W2013046345","https://openalex.org/W2055117363","https://openalex.org/W2743868048","https://openalex.org/W2087841849","https://openalex.org/W2040650644","https://openalex.org/W2002118999","https://openalex.org/W2116372664","https://openalex.org/W2888201297"],"abstract_inverted_index":{"Oxidation":[0],"of":[1,17,25,32,39,52,57,67,83,98,116],"isoprene":[2,53],"by":[3],"the":[4,50,55,61,80,89,96,112,126,141,176],"hydroxyl":[5,62],"radical":[6,63],"leads":[7],"to":[8,22,65,91,110,170,190,200],"tropospheric":[9],"ozone":[10],"formation.":[11,93],"Consequently,":[12],"a":[13,29,36,132],"more":[14],"complete":[15],"understanding":[16,31,38],"this":[18,75,117],"reaction":[19,40,146,161,164,184,194],"could":[20],"lead":[21],"better":[23,30,37],"models":[24],"regional":[26],"air":[27],"quality,":[28],"aerosol":[33],"formation,":[34],"and":[35,42,86,103,163,193],"kinetics":[41],"dynamics.":[43],"The":[44,148],"most":[45],"common":[46],"first":[47],"step":[48],"in":[49,72,175],"oxidation":[51],"is":[54,135],"formation":[56,97],"an":[58],"adduct,":[59],"with":[60],"adding":[64],"one":[66],"four":[68],"unsaturated":[69],"carbon":[70],"atoms":[71],"isoprene.":[73],"In":[74],"paper,":[76],"we":[77],"discuss":[78],"how":[79],"initial":[81],"conformations":[82],"isoprene,":[84],"s-trans":[85],"s-gauche,":[87],"influences":[88],"pathways":[90,158,181],"adduct":[92],"We":[94,120],"explore":[95],"pre-reactive":[99,133],"complexes":[100],"at":[101,123,138,153],"low":[102,139,154],"high":[104],"temperatures,":[105],"which":[106],"are":[107],"often":[108],"invoked":[109],"explain":[111],"negative":[113,160],"temperature":[114],"dependence":[115],"reaction\u2019s":[118],"kinetics.":[119],"show":[121,151],"that":[122,131,152,166,186,196],"higher":[124],"temperatures":[125,140,155,174],"free":[127],"energy":[128],"surface":[129],"indicates":[130],"complex":[134,142],"unlikely,":[136],"while":[137],"exists":[143],"on":[144],"two":[145],"pathways.":[147],"theoretical":[149],"results":[150],"all":[156,179],"eight":[157,180],"possess":[159,182],"barriers,":[162],"energies":[165,195],"range":[167,187,197],"from":[168,188,198],"\u221236.7":[169],"\u221223.0":[171],"kcal\u00b7mol\u22121.":[172,202],"At":[173],"lower":[177],"atmosphere,":[178],"positive":[183],"barriers":[185],"3.8":[189],"6.0":[191],"kcal\u00b7mol\u22121":[192],"\u221228.8":[199],"\u221214.4":[201]},"counts_by_year":[],"updated_date":"2026-09-02T18:50:13.731487","created_date":"2020-05-13T00:00:00"}
