{"id":"https://openalex.org/W1981309497","doi":"https://doi.org/10.1021/jp0348171","title":"Evaluation of Hydration Enthalpies of Monatomic Cations by Considering Both Long-Range and Short-Range Interactions","display_name":"Evaluation of Hydration Enthalpies of Monatomic Cations by Considering Both Long-Range and Short-Range Interactions","publication_year":2003,"publication_date":"2003-08-29","ids":{"openalex":"https://openalex.org/W1981309497","doi":"https://doi.org/10.1021/jp0348171","mag":"1981309497"},"language":"en","primary_location":{"id":"doi:10.1021/jp0348171","doi":"https://doi.org/10.1021/jp0348171","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp0348171","pdf_url":null,"source":{"id":"https://openalex.org/S146709414","display_name":"The Journal of Physical Chemistry A","issn_l":"1089-5639","issn":["1089-5639","1520-5215"],"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-100","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry A","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5014185286","display_name":"Nobuyuki Ichieda","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I27429435","display_name":"Kyoto Institute of Technology","ror":"https://ror.org/00965ax52","country_code":"JP","type":"education","lineage":["https://openalex.org/I27429435"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Nobuyuki Ichieda","raw_affiliation_strings":["Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan","institution_ids":["https://openalex.org/I27429435"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025716615","display_name":"Megumi Kasuno","orcid":"https://orcid.org/0000-0002-2779-1450","observed_orcids":["https://orcid.org/0000-0002-2779-1450"]},"institutions":[{"id":"https://openalex.org/I27429435","display_name":"Kyoto Institute of Technology","ror":"https://ror.org/00965ax52","country_code":"JP","type":"education","lineage":["https://openalex.org/I27429435"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Megumi Kasuno","raw_affiliation_strings":["Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan","institution_ids":["https://openalex.org/I27429435"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065434069","display_name":"Khaleda Banu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I27429435","display_name":"Kyoto Institute of Technology","ror":"https://ror.org/00965ax52","country_code":"JP","type":"education","lineage":["https://openalex.org/I27429435"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Khaleda Banu","raw_affiliation_strings":["Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan","institution_ids":["https://openalex.org/I27429435"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112836964","display_name":"Sorin Kihara","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I27429435","display_name":"Kyoto Institute of Technology","ror":"https://ror.org/00965ax52","country_code":"JP","type":"education","lineage":["https://openalex.org/I27429435"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Sorin Kihara","raw_affiliation_strings":["Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585, Japan","institution_ids":["https://openalex.org/I27429435"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078457926","display_name":"Hirohide Nakamatsu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I4399598384","display_name":"Kyoto University Institute for Chemical Research","ror":"https://ror.org/0349bbg69","country_code":"JP","type":"facility","lineage":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hirohide Nakamatsu","raw_affiliation_strings":["Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4399598384"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5112836964"],"corresponding_institution_ids":["https://openalex.org/I27429435"],"apc_list":null,"apc_paid":null,"fwci":0.5854,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.61420228,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":"107","issue":"38","first_page":"7597","last_page":"7603"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.676800012588501,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.676800012588501,"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.17599999904632568,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.04749999940395355,"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/hydration-enthalpy","display_name":"hydration enthalpy","score":0.9890000224113464},{"id":"https://openalex.org/keywords/long-range-interactions","display_name":"long-range interactions","score":0.6859999895095825},{"id":"https://openalex.org/keywords/short-range-interactions","display_name":"short-range interactions","score":0.9929999709129333},{"id":"https://openalex.org/keywords/first-hydration-shell","display_name":"first hydration shell","score":0.949999988079071},{"id":"https://openalex.org/keywords/donor-acceptor-interactions","display_name":"donor-acceptor interactions","score":0.8510000109672546},{"id":"https://openalex.org/keywords/born-theory","display_name":"Born theory","score":0.703000009059906},{"id":"https://openalex.org/keywords/crystal-field-theory","display_name":"crystal field theory","score":0.8450000286102295},{"id":"https://openalex.org/keywords/transition-metal-ions","display_name":"transition metal ions","score":0.7450000047683716}],"concepts":[{"id":"https://openalex.org/C152149077","wikidata":"https://www.wikidata.org/wiki/Q1588896","display_name":"Monatomic ion","level":2,"score":0.9449371099472046},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7625221610069275},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.6283025145530701},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5722391605377197},{"id":"https://openalex.org/C149823470","wikidata":"https://www.wikidata.org/wiki/Q1088326","display_name":"Solvation shell","level":4,"score":0.5715601444244385},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5559984445571899},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3473760485649109},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3312980532646179},{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.2907540798187256},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.2219049334526062},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/jp0348171","doi":"https://doi.org/10.1021/jp0348171","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp0348171","pdf_url":null,"source":{"id":"https://openalex.org/S146709414","display_name":"The Journal of Physical Chemistry A","issn_l":"1089-5639","issn":["1089-5639","1520-5215"],"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-100","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry A","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":25,"referenced_works":["https://openalex.org/W589054638","https://openalex.org/W1966907774","https://openalex.org/W1979825890","https://openalex.org/W1985313443","https://openalex.org/W1994348054","https://openalex.org/W2002199576","https://openalex.org/W2006668202","https://openalex.org/W2018156296","https://openalex.org/W2026467865","https://openalex.org/W2032642369","https://openalex.org/W2037012144","https://openalex.org/W2038957856","https://openalex.org/W2039034840","https://openalex.org/W2056294493","https://openalex.org/W2058065178","https://openalex.org/W2065161460","https://openalex.org/W2081926166","https://openalex.org/W2089573376","https://openalex.org/W2118047751","https://openalex.org/W2334311531","https://openalex.org/W2486629449","https://openalex.org/W2951760213","https://openalex.org/W4230206404","https://openalex.org/W4230257048","https://openalex.org/W4251962307"],"related_works":["https://openalex.org/W2007862214","https://openalex.org/W2099546347","https://openalex.org/W2072072145","https://openalex.org/W2042977969","https://openalex.org/W1964719451","https://openalex.org/W2071959285","https://openalex.org/W2017026866","https://openalex.org/W2071030583","https://openalex.org/W2005306232","https://openalex.org/W2063599712"],"abstract_inverted_index":{"The":[0],"standard":[1],"hydration":[2,54,121],"enthalpy,":[3],"\u0394":[4,33,56,73,83,129,174],"H":[5,34,57,74,84,130,175],"\u00b0":[6,35,58,75,85,131,176],"hyd,":[7],"of":[8,17,70,92,99,114,138,161,165,183,190],"a":[9,27,80,115,146,162],"monatomic":[10,192],"cation":[11],"was":[12,87,133,154,178],"calculated":[13,179,195],"as":[14,103],"the":[15,19,23,38,42,46,52,62,66,90,93,97,100,104,108,111,119,136,139,151,157,170,181,184],"sum":[16],"(1)":[18],"enthalpy":[20,39,63],"due":[21,40,64],"to":[22,41,65,150],"long-range":[24],"interaction":[25,44,141],"between":[26,45,107,142],"hydrated":[28,101],"ion":[29,47,102,109,144,167],"and":[30,48,60,110,145],"bulk":[31],"water,":[32],"LR,":[36],"(2)":[37],"short-range":[43],"water":[49,116,147],"molecules":[50],"in":[51,118],"first":[53,120],"shell,":[55,122],"SR,":[59],"(3)":[61],"ligand":[67],"field":[68,186],"stabilization":[69],"an":[71,143,166],"ion,":[72,152],"LF,":[76],"which":[77,153],"arises":[78],"for":[79],"transition-metal":[81],"ion.":[82],"LR":[86],"estimated":[88],"on":[89,135,180],"basis":[91,137,182],"Born":[94],"theory":[95],"assuming":[96],"radius":[98],"interatomic":[105],"distance":[106],"oxygen":[112],"atom":[113],"molecule":[117,148],"r":[123],"M":[124],"-":[125],"O,":[126],"determined":[127],"experimentally.":[128,201],"SR":[132],"evaluated":[134,155],"donor\u2212acceptor":[140],"coordinating":[149],"by":[156],"molecular":[158],"orbital":[159],"calculation":[160],"monohydrated":[163],"cluster":[164],"combined":[168],"with":[169,198],"Mulliken":[171],"population":[172],"analysis.":[173],"LF":[177],"crystal":[185],"theory.":[187],"Hydration":[188],"enthalpies":[189],"48":[191],"cations":[193],"thus":[194],"agreed":[196],"well":[197],"those":[199],"observed":[200]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-27T15:51:10.671819","created_date":"2016-06-24T00:00:00"}
