{"id":"https://openalex.org/W2076052834","doi":"https://doi.org/10.1021/ci980058l","title":"Topological Index and Thermodynamic Properties. 5. How Can We Explain the Topological Dependency of Thermodynamic Properties of Alkanes with the Topology of Graphs?","display_name":"Topological Index and Thermodynamic Properties. 5. How Can We Explain the Topological Dependency of Thermodynamic Properties of Alkanes with the Topology of Graphs?","publication_year":1998,"publication_date":"1998-08-25","ids":{"openalex":"https://openalex.org/W2076052834","doi":"https://doi.org/10.1021/ci980058l","mag":"2076052834"},"language":"en","primary_location":{"id":"doi:10.1021/ci980058l","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci980058l","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Chemical Information and Computer Sciences","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/A5025142030","display_name":"Haruo Hosoya","orcid":"https://orcid.org/0000-0002-5660-0801"},"institutions":[{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Haruo Hosoya","raw_affiliation_strings":["Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan"],"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan","institution_ids":["https://openalex.org/I26120043"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084812781","display_name":"Machiko Gotoh","orcid":null},"institutions":[{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Machiko Gotoh","raw_affiliation_strings":["Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan"],"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan","institution_ids":["https://openalex.org/I26120043"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057306740","display_name":"Miyuki Murakami","orcid":null},"institutions":[{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Miyuki Murakami","raw_affiliation_strings":["Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan"],"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan","institution_ids":["https://openalex.org/I26120043"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5006299572","display_name":"Shigeko Ikeda","orcid":null},"institutions":[{"id":"https://openalex.org/I26120043","display_name":"Ochanomizu University","ror":"https://ror.org/03599d813","country_code":"JP","type":"education","lineage":["https://openalex.org/I26120043"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shigeko Ikeda","raw_affiliation_strings":["Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan"],"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Information Sciences, Ochanomizu University, Bunkyo-ku, Tokyo 112, Japan","institution_ids":["https://openalex.org/I26120043"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5025142030"],"corresponding_institution_ids":["https://openalex.org/I26120043"],"apc_list":null,"apc_paid":null,"fwci":2.8574,"has_fulltext":false,"cited_by_count":46,"citation_normalized_percentile":{"value":0.90754339,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"39","issue":"2","first_page":"192","last_page":"196"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2608","display_name":"Geometry and Topology"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.988099992275238,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/topological-index","display_name":"Topological index","score":0.7553408741950989},{"id":"https://openalex.org/keywords/topology","display_name":"Topology (electrical circuits)","score":0.6525883078575134},{"id":"https://openalex.org/keywords/dependency","display_name":"Dependency (UML)","score":0.48262056708335876},{"id":"https://openalex.org/keywords/alkane","display_name":"Alkane","score":0.43361443281173706},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.33990293741226196},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.24865388870239258},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.21946179866790771},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.1338289976119995}],"concepts":[{"id":"https://openalex.org/C159867001","wikidata":"https://www.wikidata.org/wiki/Q904942","display_name":"Topological index","level":2,"score":0.7553408741950989},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.6525883078575134},{"id":"https://openalex.org/C19768560","wikidata":"https://www.wikidata.org/wiki/Q320727","display_name":"Dependency (UML)","level":2,"score":0.48262056708335876},{"id":"https://openalex.org/C2781327020","wikidata":"https://www.wikidata.org/wiki/Q41581","display_name":"Alkane","level":3,"score":0.43361443281173706},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.33990293741226196},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24865388870239258},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.21946179866790771},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1338289976119995},{"id":"https://openalex.org/C2777207669","wikidata":"https://www.wikidata.org/wiki/Q43648","display_name":"Hydrocarbon","level":2,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci980058l","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci980058l","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation","score":0.41999998688697815}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":11,"referenced_works":["https://openalex.org/W423259928","https://openalex.org/W1989085902","https://openalex.org/W2004324131","https://openalex.org/W2007981503","https://openalex.org/W2018756269","https://openalex.org/W2020901681","https://openalex.org/W2026500431","https://openalex.org/W2056086063","https://openalex.org/W2084073954","https://openalex.org/W2409065277","https://openalex.org/W4403297551"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W1967232283","https://openalex.org/W1979597421","https://openalex.org/W2094009763","https://openalex.org/W2007980826","https://openalex.org/W2523056944","https://openalex.org/W2061531152","https://openalex.org/W2094117112","https://openalex.org/W3002753104","https://openalex.org/W2077600819"],"abstract_inverted_index":{"Correlations":[0],"between":[1],"the":[2,15,38,50,57,64,69],"thermodynamic":[3],"properties":[4],"of":[5,10,22,40,53,67,84,88],"alkanes":[6],"and":[7],"topological":[8],"indices":[9],"integer":[11],"values":[12],"(ITI)":[13],"for":[14,27,44],"corresponding":[16],"graphs":[17],"are":[18,31,92],"studied.":[19],"A":[20],"set":[21],"higher":[23],"order":[24],"Z-indices,":[25],"Zn,":[26],"n-step":[28],"graphs,":[29],"Gn,":[30],"newly":[32],"defined.":[33],"Fairly":[34],"good":[35,79],"correlation":[36,80,90],"with":[37],"density":[39],"liquid":[41],"was":[42,74],"obtained":[43],"a":[45],"single":[46],"index":[47],"Z3,":[48,73],"representing":[49],"static":[51],"topology":[52],"alkane":[54],"molecules.":[55],"For":[56],"boiling":[58],"point,":[59],"which":[60],"is":[61],"determined":[62],"by":[63],"dynamical":[65],"motion":[66],"molecules,":[68],"quantity,":[70],"4Z1":[71],"+":[72],"shown":[75],"to":[76],"have":[77],"remarkably":[78],"among":[81],"other":[82],"combinations":[83],"ITI's.":[85],"Physicochemical":[86],"interpretations":[87],"these":[89],"problems":[91],"given.":[93]},"counts_by_year":[{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"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"}