{"id":"https://openalex.org/W1973870738","doi":"https://doi.org/10.1002/(sici)1096-987x(199802)19:3<363::aid-jcc9>3.0.co;2-r","title":"Effect of available volumes on radial distribution functions","display_name":"Effect of available volumes on radial distribution functions","publication_year":1998,"publication_date":"1998-02-01","ids":{"openalex":"https://openalex.org/W1973870738","doi":"https://doi.org/10.1002/(sici)1096-987x(199802)19:3<363::aid-jcc9>3.0.co;2-r","mag":"1973870738"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199802)19:3<363::aid-jcc9>3.0.co;2-r","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199802)19:3<363::aid-jcc9>3.0.co;2-r","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"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/A5077959776","display_name":"Timothy Astley","orcid":null},"institutions":[{"id":"https://openalex.org/I71052956","display_name":"University of Reading","ror":"https://ror.org/05v62cm79","country_code":"GB","type":"education","lineage":["https://openalex.org/I71052956"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Timothy Astley","raw_affiliation_strings":["Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD","institution_ids":["https://openalex.org/I71052956"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109950625","display_name":"G. G. Birch","orcid":null},"institutions":[{"id":"https://openalex.org/I71052956","display_name":"University of Reading","ror":"https://ror.org/05v62cm79","country_code":"GB","type":"education","lineage":["https://openalex.org/I71052956"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Gordon G. Birch","raw_affiliation_strings":["Department of Food Science and Technology, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AP"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Food Science and Technology, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AP","institution_ids":["https://openalex.org/I71052956"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074211409","display_name":"Michael G. B. Drew","orcid":"https://orcid.org/0000-0001-8687-3440"},"institutions":[{"id":"https://openalex.org/I71052956","display_name":"University of Reading","ror":"https://ror.org/05v62cm79","country_code":"GB","type":"education","lineage":["https://openalex.org/I71052956"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Michael G. B. Drew","raw_affiliation_strings":["Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD","institution_ids":["https://openalex.org/I71052956"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085354660","display_name":"P. Mark Rodger","orcid":null},"institutions":[{"id":"https://openalex.org/I71052956","display_name":"University of Reading","ror":"https://ror.org/05v62cm79","country_code":"GB","type":"education","lineage":["https://openalex.org/I71052956"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"P. Mark Rodger","raw_affiliation_strings":["Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD","institution_ids":["https://openalex.org/I71052956"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017111223","display_name":"Gareth R. H. Wilden","orcid":null},"institutions":[{"id":"https://openalex.org/I71052956","display_name":"University of Reading","ror":"https://ror.org/05v62cm79","country_code":"GB","type":"education","lineage":["https://openalex.org/I71052956"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Gareth R. H. Wilden","raw_affiliation_strings":["Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Reading, Whiteknights, Reading, United Kingdom RG6 6AD","institution_ids":["https://openalex.org/I71052956"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5077959776"],"corresponding_institution_ids":["https://openalex.org/I71052956"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.7949,"has_fulltext":false,"cited_by_count":36,"citation_normalized_percentile":{"value":0.82644289,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"19","issue":"3","first_page":"363","last_page":"367"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9994000196456909,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9994000196456909,"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/T11936","display_name":"Chemical and Physical Properties in Aqueous Solutions","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/1506","display_name":"Filtration and Separation"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9983999729156494,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/interpretation","display_name":"Interpretation (philosophy)","score":0.7146916389465332},{"id":"https://openalex.org/keywords/volume","display_name":"Volume (thermodynamics)","score":0.6916647553443909},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5746283531188965},{"id":"https://openalex.org/keywords/rdf-schema","display_name":"RDF Schema","score":0.4749301075935364},{"id":"https://openalex.org/keywords/structuring","display_name":"Structuring","score":0.47352027893066406},{"id":"https://openalex.org/keywords/distribution","display_name":"Distribution (mathematics)","score":0.4595213830471039},{"id":"https://openalex.org/keywords/radial-distribution-function","display_name":"Radial distribution function","score":0.42464613914489746},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3998052477836609},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.39611995220184326},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3725821077823639},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.33785608410835266},{"id":"https://openalex.org/keywords/rdf","display_name":"RDF","score":0.3267863094806671},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.27504149079322815},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.27473220229148865},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.15479525923728943},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.15159764885902405},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.08829092979431152},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.060848623514175415}],"concepts":[{"id":"https://openalex.org/C527412718","wikidata":"https://www.wikidata.org/wiki/Q855395","display_name":"Interpretation (philosophy)","level":2,"score":0.7146916389465332},{"id":"https://openalex.org/C20556612","wikidata":"https://www.wikidata.org/wiki/Q4469374","display_name":"Volume (thermodynamics)","level":2,"score":0.6916647553443909},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5746283531188965},{"id":"https://openalex.org/C15657843","wikidata":"https://www.wikidata.org/wiki/Q1751819","display_name":"RDF Schema","level":5,"score":0.4749301075935364},{"id":"https://openalex.org/C2775945657","wikidata":"https://www.wikidata.org/wiki/Q381442","display_name":"Structuring","level":2,"score":0.47352027893066406},{"id":"https://openalex.org/C110121322","wikidata":"https://www.wikidata.org/wiki/Q865811","display_name":"Distribution (mathematics)","level":2,"score":0.4595213830471039},{"id":"https://openalex.org/C135508586","wikidata":"https://www.wikidata.org/wiki/Q651160","display_name":"Radial distribution function","level":3,"score":0.42464613914489746},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3998052477836609},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.39611995220184326},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3725821077823639},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.33785608410835266},{"id":"https://openalex.org/C147497476","wikidata":"https://www.wikidata.org/wiki/Q54872","display_name":"RDF","level":3,"score":0.3267863094806671},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.27504149079322815},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.27473220229148865},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.15479525923728943},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.15159764885902405},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.08829092979431152},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.060848623514175415},{"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/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C41009113","wikidata":"https://www.wikidata.org/wiki/Q54871","display_name":"SPARQL","level":4,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0},{"id":"https://openalex.org/C2129575","wikidata":"https://www.wikidata.org/wiki/Q54837","display_name":"Semantic Web","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199802)19:3<363::aid-jcc9>3.0.co;2-r","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199802)19:3<363::aid-jcc9>3.0.co;2-r","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W1491824558","https://openalex.org/W1976412533","https://openalex.org/W1991297990","https://openalex.org/W2011398297","https://openalex.org/W2041902442","https://openalex.org/W2053515752","https://openalex.org/W2054867595","https://openalex.org/W2055230590","https://openalex.org/W2064143576","https://openalex.org/W2069238137","https://openalex.org/W2082018233","https://openalex.org/W2124745044","https://openalex.org/W4205261120","https://openalex.org/W4234347480"],"related_works":["https://openalex.org/W1939859361","https://openalex.org/W43613300","https://openalex.org/W2218209731","https://openalex.org/W2528240602","https://openalex.org/W1991234668","https://openalex.org/W2027499911","https://openalex.org/W1532834088","https://openalex.org/W1596295448","https://openalex.org/W1501215193","https://openalex.org/W4255190918"],"abstract_inverted_index":{"The":[0],"traditional":[1,65],"method":[2],"of":[3,8,38,49,67],"analyzing":[4],"solution":[5],"structuring":[6],"properties":[7],"solutes":[9],"using":[10,35,58],"atom\u2013atom":[11],"radial":[12],"distribution":[13],"functions":[14],"(rdfs)":[15],"can":[16,51],"give":[17],"rise":[18],"to":[19],"misleading":[20],"interpretations":[21],"when":[22],"the":[23,27,36,56,59,64],"volume":[24,66],"occupied":[25],"by":[26,34,54],"solute":[28],"is":[29,32],"ignored.":[30],"It":[31],"shown":[33],"examples":[37],"O(4)":[39],"in":[40],"\u03b1-":[41],"and":[42],"\u03b2-D-allose":[43],"that":[44],"a":[45,68],"more":[46],"reliable":[47],"interpretation":[48],"rdfs":[50],"be":[52],"obtained":[53],"normalising":[55],"rdf":[57],"available":[60],"volume,":[61],"rather":[62],"than":[63],"spherical":[69],"shell.":[70],"\u00a9":[71],"1998":[72,83],"John":[73],"Wiley":[74],"&":[75],"Sons,":[76],"Inc.":[77],"J":[78],"Comput":[79],"Chem":[80],"19:":[81],"363\u2013367,":[82]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":5},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}