{"id":"https://openalex.org/W2005294752","doi":"https://doi.org/10.1063/1.1732472","title":"Structure of Water and Hydrophobic Bonding in Proteins. I. A Model for the Thermodynamic Properties of Liquid Water","display_name":"Structure of Water and Hydrophobic Bonding in Proteins. I. A Model for the Thermodynamic Properties of Liquid Water","publication_year":1962,"publication_date":"1962-06-15","ids":{"openalex":"https://openalex.org/W2005294752","doi":"https://doi.org/10.1063/1.1732472","mag":"2005294752"},"language":"en","primary_location":{"id":"doi:10.1063/1.1732472","doi":"https://doi.org/10.1063/1.1732472","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.1732472","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","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/A5022350308","display_name":"George N\u00e9methy","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"George N\u00e9methy","raw_affiliation_strings":["Department of Chemistry, Cornell University, Ithaca, New York"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Cornell University, Ithaca, New York","institution_ids":["https://openalex.org/I205783295"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5022665888","display_name":"Harold A. Scheraga","orcid":"https://orcid.org/0000-0002-6314-5376","observed_orcids":["https://orcid.org/0000-0002-6314-5376"]},"institutions":[{"id":"https://openalex.org/I205783295","display_name":"Cornell University","ror":"https://ror.org/05bnh6r87","country_code":"US","type":"education","lineage":["https://openalex.org/I205783295"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Harold A. Scheraga","raw_affiliation_strings":["Department of Chemistry, Cornell University, Ithaca, New York"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Cornell University, Ithaca, New York","institution_ids":["https://openalex.org/I205783295"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I205783295"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":24.0409,"has_fulltext":false,"cited_by_count":1108,"citation_normalized_percentile":{"value":1.0,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"36","issue":"12","first_page":"3382","last_page":"3400"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14488","display_name":"Chemical and Physical Studies","score":0.4458000063896179,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T14488","display_name":"Chemical and Physical Studies","score":0.4458000063896179,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.13429999351501465,"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/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.1282999962568283,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/liquid-water-structure","display_name":"liquid water structure","score":0.9419999718666077},{"id":"https://openalex.org/keywords/hydrophobic-interactions","display_name":"hydrophobic interactions","score":0.7509999871253967},{"id":"https://openalex.org/keywords/cluster-size-distribution","display_name":"cluster size distribution","score":0.6110000014305115},{"id":"https://openalex.org/keywords/partition-function","display_name":"partition function","score":0.8309999704360962},{"id":"https://openalex.org/keywords/thermodynamic-properties-of-water","display_name":"thermodynamic properties of water","score":0.8240000009536743},{"id":"https://openalex.org/keywords/hydrogen-bond-strength","display_name":"hydrogen bond strength","score":0.8399999737739563},{"id":"https://openalex.org/keywords/free-volume","display_name":"free volume","score":0.9160000085830688},{"id":"https://openalex.org/keywords/radial-distribution-function","display_name":"radial distribution function","score":0.7250000238418579},{"id":"https://openalex.org/keywords/compressibility","display_name":"compressibility","score":0.9110000133514404},{"id":"https://openalex.org/keywords/thermal-expansion","display_name":"thermal expansion","score":0.9980000257492065},{"id":"https://openalex.org/keywords/statistical-mechanics","display_name":"statistical mechanics","score":0.6449999809265137}],"concepts":[{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.7267687320709229},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.7000167369842529},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.6787852048873901},{"id":"https://openalex.org/C36591836","wikidata":"https://www.wikidata.org/wiki/Q125264","display_name":"Mole fraction","level":2,"score":0.653486967086792},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6449268460273743},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6153131723403931},{"id":"https://openalex.org/C146477669","wikidata":"https://www.wikidata.org/wiki/Q334631","display_name":"Gibbs free energy","level":2,"score":0.5200873613357544},{"id":"https://openalex.org/C2778401447","wikidata":"https://www.wikidata.org/wiki/Q7140637","display_name":"Partition function (quantum field theory)","level":2,"score":0.5132967829704285},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.496359646320343},{"id":"https://openalex.org/C39353612","wikidata":"https://www.wikidata.org/wiki/Q5283759","display_name":"Atmospheric temperature range","level":2,"score":0.4693252444267273},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.45421847701072693},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3453421890735626},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.17164292931556702},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09484407305717468},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"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/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1063/1.1732472","doi":"https://doi.org/10.1063/1.1732472","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.1732472","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"score":0.7699999809265137,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W157808733","https://openalex.org/W1499759633","https://openalex.org/W1535996512","https://openalex.org/W1578688865","https://openalex.org/W1605674029","https://openalex.org/W1607286065","https://openalex.org/W1671860850","https://openalex.org/W1975077437","https://openalex.org/W1987693156","https://openalex.org/W1990271282","https://openalex.org/W1990535726","https://openalex.org/W1992210899","https://openalex.org/W2006330147","https://openalex.org/W2021349598","https://openalex.org/W2023229606","https://openalex.org/W2025759763","https://openalex.org/W2029328584","https://openalex.org/W2030164253","https://openalex.org/W2031946779","https://openalex.org/W2033529067","https://openalex.org/W2035199633","https://openalex.org/W2044328221","https://openalex.org/W2046002177","https://openalex.org/W2050103108","https://openalex.org/W2051407616","https://openalex.org/W2053798150","https://openalex.org/W2055968547","https://openalex.org/W2060355746","https://openalex.org/W2060677441","https://openalex.org/W2062402725","https://openalex.org/W2068400101","https://openalex.org/W2070616092","https://openalex.org/W2073037990","https://openalex.org/W2078680680","https://openalex.org/W2081926166","https://openalex.org/W2083908882","https://openalex.org/W2087321989","https://openalex.org/W2092761973","https://openalex.org/W2096677335","https://openalex.org/W2100097185","https://openalex.org/W2106565657","https://openalex.org/W2161336016","https://openalex.org/W2315338838","https://openalex.org/W2318780475","https://openalex.org/W2331500237","https://openalex.org/W2331518774","https://openalex.org/W2912711359","https://openalex.org/W4230736395"],"related_works":["https://openalex.org/W2363151802","https://openalex.org/W2369175295","https://openalex.org/W4361028552","https://openalex.org/W2373625723","https://openalex.org/W2383548838","https://openalex.org/W2348400056","https://openalex.org/W2961753284","https://openalex.org/W1988863621","https://openalex.org/W4200319877","https://openalex.org/W2369157176"],"abstract_inverted_index":{"The":[0,47,96,131,156,184,221,250,259,274,300,334],"thermodynamic":[1,13,148],"parameters":[2,149],"of":[3,10,32,40,51,64,72,83,89,103,111,135,143,158,167,207,219,224,231,246,254,284,331,344,347,350],"liquid":[4,33,58,104,232],"water":[5,34,105,233],"are":[6,35,44,59,94,150,171,177,280,315,325],"derived":[7,99,269,303],"by":[8,22],"means":[9],"a":[11,109],"statistical":[12],"treatment,":[14],"based":[15,107],"on":[16,108,328],"the":[17,30,38,41,65,76,80,84,90,101,112,136,140,147,153,159,163,168,196,204,216,225,265,277,289,291,295,305,309,329,332,345],"``flickering":[18],"cluster''":[19],"model":[20,43,310,335],"proposed":[21,28],"Frank":[23],"and":[24,37,125,146,162,229,276,294,311],"Wen.":[25],"Various":[26],"models":[27],"for":[29,100,304],"structure":[31],"reviewed,":[36],"advantages":[39],"Frank\u2014Wen":[42],"pointed":[45],"out.":[46],"hydrogen-bonded":[48,292],"ice-like":[49],"clusters":[50,293],"H2O":[52,113,193],"molecules":[53,114,170,194,209],"in":[54,62,69,75,87,234,282,288],"equilibrium":[55],"with":[56,203,239,264],"non-hydrogen-bonded":[57,144,208],"described":[60],"quantitatively":[61],"terms":[63,88,283],"molecular":[66,164],"species":[67,86,307],"participating":[68],"different":[70],"numbers":[71],"hydrogen":[73,127,160],"bonds":[74,128],"clusters.":[77],"Equations":[78],"expressing":[79],"mole":[81,141,205],"fractions":[82],"various":[85],"average":[91,137,185],"cluster":[92,138,186],"size":[93,187],"derived.":[95],"partition":[97,154],"function":[98],"description":[102],"is":[106,256],"distribution":[110,267],"over":[115,195,215],"five":[116],"energy":[117,157],"levels,":[118],"corresponding":[119],"to":[120,179,191,201,213,242,317,340],"four,":[121],"three,":[122],"two,":[123],"one,":[124],"no":[126],"per":[129],"molecule.":[130],"most":[132],"probable":[133],"values":[134,223],"size,":[139],"fraction":[142,206],"water,":[145],"obtained":[151],"from":[152,189,199,211,270,308,312],"function.":[155],"bond":[161],"``free":[165],"volume''":[166],"unbonded":[169],"introduced":[172],"as":[173],"adjustable":[174],"parameters;":[175],"they":[176],"shown":[178,316],"have":[180,318],"physically":[181,319],"reasonable":[182,320],"magnitudes.":[183,321],"ranges":[188],"91":[190],"25":[192],"temperature":[197,236,252],"range":[198,218,237],"0\u00b0":[200],"70\u00b0C,":[202],"increasing":[210],"0.24":[212],"0.39":[214],"same":[217],"temperature.":[220],"calculated":[222,251,260],"free":[226],"energy,":[227],"enthalpy,":[228],"entropy":[230],"this":[235],"agree":[238,262],"experimental":[240,313],"data":[241,302,314],"within":[243],"an":[244,342],"error":[245],"less":[247],"than":[248],"3%.":[249],"dependence":[253],"cv":[255],"too":[257],"large.":[258],"results":[261],"well":[263],"radial":[266],"curve":[268],"x-ray":[271],"diffraction":[272],"data.":[273],"compressibility":[275],"thermal":[278],"expansion":[279],"considered":[281],"two":[285],"contributing":[286],"forms":[287],"liquid:":[290],"more":[296],"closely":[297],"packed":[298],"molecules.":[299],"P\u2014V\u2014T":[301],"close-packed":[306],"Several":[322],"other":[323],"properties":[324,346],"discussed":[326],"qualitatively":[327],"basis":[330],"model.":[333],"can":[336],"also":[337],"be":[338],"extended":[339],"provide":[341],"explanation":[343],"aqueous":[348],"solutions":[349],"nonpolar":[351],"substances.":[352]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":10},{"year":2023,"cited_by_count":12},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":13},{"year":2020,"cited_by_count":16},{"year":2019,"cited_by_count":11},{"year":2018,"cited_by_count":8},{"year":2017,"cited_by_count":15},{"year":2016,"cited_by_count":11},{"year":2015,"cited_by_count":17},{"year":2014,"cited_by_count":10},{"year":2013,"cited_by_count":18},{"year":2012,"cited_by_count":17}],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2025-10-10T00:00:00"}