{"id":"https://openalex.org/W2016111085","doi":"https://doi.org/10.1021/j100102a046","title":"When Are Free Energy Components Meaningful?","display_name":"When Are Free Energy Components Meaningful?","publication_year":1994,"publication_date":"1994-12-01","ids":{"openalex":"https://openalex.org/W2016111085","doi":"https://doi.org/10.1021/j100102a046","mag":"2016111085"},"language":"en","primary_location":{"id":"doi:10.1021/j100102a046","doi":"https://doi.org/10.1021/j100102a046","is_oa":false,"landing_page_url":"https://doi.org/10.1021/j100102a046","pdf_url":null,"source":{"id":"https://openalex.org/S24459064","display_name":"The Journal of Physical Chemistry","issn_l":"0022-3654","issn":["0022-3654","1541-5740"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"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 Physical 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/A5091673051","display_name":"Paul E. Smith","orcid":"https://orcid.org/0000-0002-5565-3274","observed_orcids":["https://orcid.org/0000-0002-5565-3274"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Paul E. Smith","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5063856246","display_name":"Wilfred F. Van Gunsteren A","orcid":"https://orcid.org/0000-0002-9583-7019","observed_orcids":["https://orcid.org/0000-0002-9583-7019"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Wilfred F. van Gunsteren","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":3.071,"has_fulltext":false,"cited_by_count":89,"citation_normalized_percentile":{"value":0.9085961,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"98","issue":"51","first_page":"13735","last_page":"13740"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.6654999852180481,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.6654999852180481,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T13539","display_name":"thermodynamics and calorimetric analyses","score":0.09350000321865082,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.07410000264644623,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/free-energy-decomposition","display_name":"free energy decomposition","score":0.7929999828338623},{"id":"https://openalex.org/keywords/free-energy-perturbation","display_name":"free energy perturbation","score":0.5320000052452087},{"id":"https://openalex.org/keywords/free-energy-calculations","display_name":"free energy calculation","score":0.39100000262260437},{"id":"https://openalex.org/keywords/thermodynamic-integration","display_name":"thermodynamic integration","score":0.44999998807907104},{"id":"https://openalex.org/keywords/statistical-mechanics","display_name":"statistical mechanics","score":0.43700000643730164}],"concepts":[{"id":"https://openalex.org/C2778447006","wikidata":"https://www.wikidata.org/wiki/Q1156474","display_name":"Icon","level":2,"score":0.6988348960876465},{"id":"https://openalex.org/C2778805511","wikidata":"https://www.wikidata.org/wiki/Q1713","display_name":"Citation","level":2,"score":0.6925091743469238},{"id":"https://openalex.org/C518677369","wikidata":"https://www.wikidata.org/wiki/Q202833","display_name":"Social media","level":2,"score":0.5743905901908875},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5623417496681213},{"id":"https://openalex.org/C2778407487","wikidata":"https://www.wikidata.org/wiki/Q14565201","display_name":"Altmetrics","level":2,"score":0.5318400859832764},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.5079193711280823},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.42124512791633606},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.3129245936870575},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.14208221435546875},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.13784748315811157},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/j100102a046","doi":"https://doi.org/10.1021/j100102a046","is_oa":false,"landing_page_url":"https://doi.org/10.1021/j100102a046","pdf_url":null,"source":{"id":"https://openalex.org/S24459064","display_name":"The Journal of Physical Chemistry","issn_l":"0022-3654","issn":["0022-3654","1541-5740"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"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 Physical Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"display_name":"Affordable and clean energy","score":0.6399999856948853,"id":"https://metadata.un.org/sdg/7"}],"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/W2049738900","https://openalex.org/W2077091522","https://openalex.org/W7100155794","https://openalex.org/W1998380792","https://openalex.org/W2321484219","https://openalex.org/W1978193721","https://openalex.org/W2083992213","https://openalex.org/W2043429268","https://openalex.org/W1608506719","https://openalex.org/W2501619432"],"abstract_inverted_index":{"ADVERTISEMENT":[0],"RETURN":[1],"TO":[2],"ISSUEPREVArticleNEXTWhen":[3],"Are":[4],"Free":[5],"Energy":[6],"Components":[7],"Meaningful?Paul":[8],"E.":[9],"Smith":[10],"and":[11,58,63,92,136,153,169,171],"Wilfred":[12],"F.":[13],"van":[14],"GunsterenCite":[15],"this:":[16],"J.":[17],"Phys.":[18],"Chem.":[19],"1994,":[20],"98,":[21],"51,":[22],"13735\u201313740Publication":[23],"Date":[24],"(Print):December":[25],"1,":[26],"1994Publication":[27],"History":[28],"Published":[29],"online1":[30],"May":[31],"2002Published":[32],"inissue":[33],"1":[34],"December":[35],"1994https://doi.org/10.1021/j100102a046RIGHTS":[36],"&":[37],"PERMISSIONSArticle":[38],"Views349Altmetric-Citations71LEARN":[39],"ABOUT":[40],"THESE":[41],"METRICSArticle":[42],"Views":[43],"are":[44,67,80],"the":[45,76,81,110,121,134,137,142,149,155],"COUNTER-compliant":[46],"sum":[47],"of":[48,83,109],"full":[49],"text":[50],"article":[51,115],"downloads":[52],"since":[53],"November":[54],"2008":[55],"(both":[56],"PDF":[57,177],"HTML)":[59],"across":[60],"all":[61],"institutions":[62],"individuals.":[64],"These":[65],"metrics":[66],"regularly":[68],"updated":[69,93],"to":[70,75],"reflect":[71],"usage":[72],"leading":[73],"up":[74],"last":[77],"few":[78],"days.Citations":[79],"number":[82],"other":[84],"articles":[85],"citing":[86],"this":[87],"article,":[88],"calculated":[89],"by":[90],"Crossref":[91,99],"daily.":[94],"Find":[95,145],"more":[96,146],"information":[97,147],"about":[98,133],"citation":[100],"counts.The":[101],"Altmetric":[102,150],"Attention":[103,151],"Score":[104,152],"is":[105,157],"a":[106,113,126],"quantitative":[107],"measure":[108],"attention":[111],"that":[112],"research":[114],"has":[116],"received":[117],"online.":[118],"Clicking":[119],"on":[120,148],"donut":[122],"icon":[123],"will":[124],"load":[125],"page":[127],"at":[128],"altmetric.com":[129],"with":[130,165],"additional":[131],"details":[132],"score":[135,156],"social":[138],"media":[139],"presence":[140],"for":[141],"given":[143],"article.":[144],"how":[154],"calculated.":[158],"Share":[159,174],"Add":[160],"toView":[161],"InAdd":[162],"Full":[163],"Text":[164],"ReferenceAdd":[166],"Description":[167],"ExportRISCitationCitation":[168],"abstractCitation":[170],"referencesMore":[172],"Options":[173],"onFacebookTwitterWechatLinked":[175],"InReddit":[176],"(609":[178],"KB)":[179],"Get":[180],"e-Alerts":[181]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":5},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":4}],"updated_date":"2026-10-17T09:40:24.721904","created_date":"2016-06-24T00:00:00"}