{"id":"https://openalex.org/W1982623098","doi":"https://doi.org/10.1021/ci970057d","title":"A Simple Means of Computing the Kekul\u00e9 Structure Count for Toroidal Polyhex Fullerenes","display_name":"A Simple Means of Computing the Kekul\u00e9 Structure Count for Toroidal Polyhex Fullerenes","publication_year":1998,"publication_date":"1998-01-19","ids":{"openalex":"https://openalex.org/W1982623098","doi":"https://doi.org/10.1021/ci970057d","mag":"1982623098"},"language":"en","primary_location":{"id":"doi:10.1021/ci970057d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970057d","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/A5059928807","display_name":"Gordon G. Cash","orcid":null},"institutions":[{"id":"https://openalex.org/I1302368450","display_name":"Environmental Protection Agency","ror":"https://ror.org/03tns0030","country_code":"US","type":"government","lineage":["https://openalex.org/I1302368450"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gordon G. Cash","raw_affiliation_strings":["New Chemicals Screening and Assessment Branch, Risk Assessment Division (7403), Office of Pollution Prevention and Toxics, U.S. Environmental Protection Agency, Washington, DC 20460"],"affiliations":[{"raw_affiliation_string":"New Chemicals Screening and Assessment Branch, Risk Assessment Division (7403), Office of Pollution Prevention and Toxics, U.S. Environmental Protection Agency, Washington, DC 20460","institution_ids":["https://openalex.org/I1302368450"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5059928807"],"corresponding_institution_ids":["https://openalex.org/I1302368450"],"apc_list":null,"apc_paid":null,"fwci":2.2561,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.85237132,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":95},"biblio":{"volume":"38","issue":"1","first_page":"58","last_page":"61"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9998999834060669,"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"}},"topics":[{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9998999834060669,"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/T10074","display_name":"Carbon Nanotubes in Composites","score":0.993399977684021,"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"}},{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.9879999756813049,"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/fullerene","display_name":"Fullerene","score":0.7945265173912048},{"id":"https://openalex.org/keywords/adjacency-matrix","display_name":"Adjacency matrix","score":0.776645302772522},{"id":"https://openalex.org/keywords/adjacency-list","display_name":"Adjacency list","score":0.7565262317657471},{"id":"https://openalex.org/keywords/toroid","display_name":"Toroid","score":0.7055269479751587},{"id":"https://openalex.org/keywords/simple","display_name":"Simple (philosophy)","score":0.6977261900901794},{"id":"https://openalex.org/keywords/hexagonal-crystal-system","display_name":"Hexagonal crystal system","score":0.5723878145217896},{"id":"https://openalex.org/keywords/matrix","display_name":"Matrix (chemical analysis)","score":0.5394014120101929},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.5328638553619385},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.47272390127182007},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.32656773924827576},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3032868802547455},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.28636685013771057},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.16952762007713318},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.05987447500228882}],"concepts":[{"id":"https://openalex.org/C162862793","wikidata":"https://www.wikidata.org/wiki/Q178026","display_name":"Fullerene","level":2,"score":0.7945265173912048},{"id":"https://openalex.org/C180356752","wikidata":"https://www.wikidata.org/wiki/Q727035","display_name":"Adjacency matrix","level":3,"score":0.776645302772522},{"id":"https://openalex.org/C110484373","wikidata":"https://www.wikidata.org/wiki/Q264398","display_name":"Adjacency list","level":2,"score":0.7565262317657471},{"id":"https://openalex.org/C15001198","wikidata":"https://www.wikidata.org/wiki/Q3241394","display_name":"Toroid","level":3,"score":0.7055269479751587},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.6977261900901794},{"id":"https://openalex.org/C128765274","wikidata":"https://www.wikidata.org/wiki/Q663314","display_name":"Hexagonal crystal system","level":2,"score":0.5723878145217896},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.5394014120101929},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.5328638553619385},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.47272390127182007},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.32656773924827576},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3032868802547455},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.28636685013771057},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.16952762007713318},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.05987447500228882},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0},{"id":"https://openalex.org/C82706917","wikidata":"https://www.wikidata.org/wiki/Q10251","display_name":"Plasma","level":2,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci970057d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970057d","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":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W1512018280","https://openalex.org/W1980000429","https://openalex.org/W1982250981","https://openalex.org/W1993844040","https://openalex.org/W1995033795","https://openalex.org/W2009011443","https://openalex.org/W2033448687","https://openalex.org/W2066419903","https://openalex.org/W2079541332","https://openalex.org/W2091887950","https://openalex.org/W2800024591","https://openalex.org/W3174107850","https://openalex.org/W4242913879","https://openalex.org/W4246319132"],"related_works":["https://openalex.org/W4213150077","https://openalex.org/W2369410163","https://openalex.org/W2059018062","https://openalex.org/W2604585036","https://openalex.org/W2078477160","https://openalex.org/W1989103179","https://openalex.org/W1991172810","https://openalex.org/W125803343","https://openalex.org/W2117632582","https://openalex.org/W4388347373"],"abstract_inverted_index":{"A":[0],"simple":[1],"method":[2],"is":[3,53],"presented":[4],"for":[5,63,69],"determining":[6],"the":[7,17,46,49,56,59,66],"Kekul\u00e9":[8,50],"structure":[9,51],"count":[10,52],"of":[11,30,48,58],"toroidal":[12],"polyhex":[13],"fullerenes,":[14,23,26],"along":[15],"with":[16],"computer":[18],"source":[19],"code":[20],"used.":[21],"Toroidal":[22],"unlike":[24],"spherical":[25],"can":[27,72],"consist":[28],"entirely":[29],"hexagonal":[31],"faces,":[32],"and":[33],"those":[34],"that":[35,79],"do":[36],"are":[37],"alternant":[38,44,64],"hydrocarbons":[39],"(with":[40],"zero":[41],"hydrogens).":[42],"For":[43],"hydrocarbons,":[45],"square":[47],"equal":[54],"to":[55],"permanent":[57],"adjacency":[60,67],"matrix.":[61],"Also,":[62],"structures,":[65],"matrix":[68,85],"n":[70],"atoms":[71],"be":[73,87],"written":[74],"in":[75],"such":[76],"a":[77],"way":[78],"only":[80],"an":[81],"n/2":[82,84],"\u00d7":[83],"need":[86],"evaluated.":[88]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}