{"id":"https://openalex.org/W4240577844","doi":"https://doi.org/10.1021/jo00335a065","title":"Caveat on the use of linear free energy correlations with .sigma. or .sigma.+ to distinguish transition-state types. A useful graphic for the selection of substituents for a linear free energy study","display_name":"Caveat on the use of linear free energy correlations with .sigma. or .sigma.+ to distinguish transition-state types. A useful graphic for the selection of substituents for a linear free energy study","publication_year":1981,"publication_date":"1981-10-01","ids":{"openalex":"https://openalex.org/W4240577844","doi":"https://doi.org/10.1021/jo00335a065"},"language":"en","primary_location":{"id":"doi:10.1021/jo00335a065","doi":"https://doi.org/10.1021/jo00335a065","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jo00335a065","pdf_url":null,"source":{"id":"https://openalex.org/S205050996","display_name":"The Journal of Organic Chemistry","issn_l":"0022-3263","issn":["0022-3263","1520-6904"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Organic Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"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/A5027220797","display_name":"Robert E. Gawley","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Robert E. Gawley","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5027220797"],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.5759,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.80153407,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"46","issue":"22","first_page":"4595","last_page":"4597"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12893","display_name":"Organic Chemistry Cycloaddition Reactions","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T14068","display_name":"Organic and Inorganic Chemical Reactions","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/linear-free-energy-relationships","display_name":"linear free energy relationships","score":0.8999999761581421},{"id":"https://openalex.org/keywords/hammett-substituent-constants","display_name":"Hammett substituent constants","score":0.9139999747276306},{"id":"https://openalex.org/keywords/reaction-kinetics","display_name":"reaction kinetics","score":0.5720000267028809},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.335999995470047},{"id":"https://openalex.org/keywords/substituent-effects","display_name":"substituent effects","score":0.4230000078678131}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8916097283363342},{"id":"https://openalex.org/C2778049214","wikidata":"https://www.wikidata.org/wiki/Q7512234","display_name":"Sigma","level":2,"score":0.7975354194641113},{"id":"https://openalex.org/C128122844","wikidata":"https://www.wikidata.org/wiki/Q4119007","display_name":"Free-energy relationship","level":4,"score":0.6736176609992981},{"id":"https://openalex.org/C2993717907","wikidata":"https://www.wikidata.org/wiki/Q443477","display_name":"Free state","level":2,"score":0.5914146900177002},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.5429428219795227},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.5186854600906372},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.45074349641799927},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3540048599243164},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.19282746315002441},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.14260321855545044},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.06651020050048828},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0651211142539978},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.06239709258079529},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.06213149428367615},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.05632242560386658},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.0},{"id":"https://openalex.org/C195244886","wikidata":"https://www.wikidata.org/wiki/Q41493","display_name":"Ancient history","level":1,"score":0.0},{"id":"https://openalex.org/C95457728","wikidata":"https://www.wikidata.org/wiki/Q309","display_name":"History","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/jo00335a065","doi":"https://doi.org/10.1021/jo00335a065","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jo00335a065","pdf_url":null,"source":{"id":"https://openalex.org/S205050996","display_name":"The Journal of Organic Chemistry","issn_l":"0022-3263","issn":["0022-3263","1520-6904"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Organic Chemistry","raw_type":"journal-article"}],"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/W2949118993","https://openalex.org/W3118551909","https://openalex.org/W2047979464","https://openalex.org/W2068987072","https://openalex.org/W4246507449","https://openalex.org/W2026321178","https://openalex.org/W4239840657","https://openalex.org/W2023186508","https://openalex.org/W2582885856","https://openalex.org/W2471289877"],"abstract_inverted_index":{"ADVERTISEMENT":[0],"RETURN":[1],"TO":[2],"ISSUEPREVArticleNEXTCaveat":[3],"on":[4,141,169],"the":[5,24,66,97,102,131,142,155,158,163,170,176],"use":[6],"of":[7,26,69,104,130],"linear":[8,30],"free":[9,31],"energy":[10,32],"correlations":[11],"with":[12,151,186],".sigma.":[13],"or":[14],".sigma.+":[15],"to":[16,91,96],"distinguish":[17],"transition-state":[18],"types.":[19],"A":[20],"useful":[21],"graphic":[22],"for":[23,28,162],"selection":[25],"substituents":[27],"a":[29,127,134,147],"studyRobert":[33],"E.":[34],"GawleyCite":[35],"this:":[36],"J.":[37],"Org.":[38],"Chem.":[39],"1981,":[40],"46,":[41],"22,":[42],"4595\u20134597Publication":[43],"Date":[44],"(Print):October":[45],"1,":[46],"1981Publication":[47],"History":[48],"Published":[49],"online1":[50],"May":[51],"2002Published":[52],"inissue":[53],"1":[54],"October":[55],"1981https://pubs.acs.org/doi/10.1021/jo00335a065https://doi.org/10.1021/jo00335a065research-articleACS":[56],"PublicationsRequest":[57],"reuse":[58],"permissionsArticle":[59],"Views108Altmetric-Citations10LEARN":[60],"ABOUT":[61],"THESE":[62],"METRICSArticle":[63],"Views":[64],"are":[65,88,101],"COUNTER-compliant":[67],"sum":[68],"full":[70],"text":[71],"article":[72,136],"downloads":[73],"since":[74],"November":[75],"2008":[76],"(both":[77],"PDF":[78],"and":[79,84,113,157,174,190,192],"HTML)":[80],"across":[81],"all":[82],"institutions":[83],"individuals.":[85],"These":[86],"metrics":[87],"regularly":[89],"updated":[90,114],"reflect":[92],"usage":[93],"leading":[94],"up":[95],"last":[98],"few":[99],"days.Citations":[100],"number":[103],"other":[105],"articles":[106],"citing":[107],"this":[108],"article,":[109],"calculated":[110],"by":[111],"Crossref":[112,120],"daily.":[115],"Find":[116,166],"more":[117,167],"information":[118,168],"about":[119,154],"citation":[121],"counts.The":[122],"Altmetric":[123,171],"Attention":[124,172],"Score":[125,173],"is":[126,178],"quantitative":[128],"measure":[129],"attention":[132],"that":[133],"research":[135],"has":[137],"received":[138],"online.":[139],"Clicking":[140],"donut":[143],"icon":[144],"will":[145],"load":[146],"page":[148],"at":[149],"altmetric.com":[150],"additional":[152],"details":[153],"score":[156,177],"social":[159],"media":[160],"presence":[161],"given":[164],"article.":[165],"how":[175],"calculated.":[179],"Share":[180,195],"Add":[181],"toView":[182],"InAdd":[183],"Full":[184],"Text":[185],"ReferenceAdd":[187],"Description":[188],"ExportRISCitationCitation":[189],"abstractCitation":[191],"referencesMore":[193],"Options":[194],"onFacebookTwitterWechatLinked":[196],"InRedditEmail":[197],"Other":[198],"access":[199],"optionsGet":[200],"e-Alertsclose":[201],"Get":[202],"e-Alerts":[203]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2018,"cited_by_count":1}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2022-05-12T00:00:00"}