{"id":"https://openalex.org/W4407295654","doi":"https://doi.org/10.1002/jcc.70058","title":"Elongation Method\u2010Based Alternating Multi\u2010Directional Automated Property Optimization Process and Its Application","display_name":"Elongation Method\u2010Based Alternating Multi\u2010Directional Automated Property Optimization Process and Its Application","publication_year":2025,"publication_date":"2025-02-08","ids":{"openalex":"https://openalex.org/W4407295654","doi":"https://doi.org/10.1002/jcc.70058","pmid":"https://pubmed.ncbi.nlm.nih.gov/39921920"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.70058","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.70058","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","pubmed"],"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/A5017296410","display_name":"Shichen Lin","orcid":null},"institutions":[{"id":"https://openalex.org/I135598925","display_name":"Kyushu University","ror":"https://ror.org/00p4k0j84","country_code":"JP","type":"education","lineage":["https://openalex.org/I135598925"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shichen Lin","raw_affiliation_strings":["Interdisciplinary Graduate School of Engineering Sciences Kyushu University  Fukuoka Japan"],"affiliations":[{"raw_affiliation_string":"Interdisciplinary Graduate School of Engineering Sciences Kyushu University  Fukuoka Japan","institution_ids":["https://openalex.org/I135598925"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005645938","display_name":"Yuuichi Orimoto","orcid":"https://orcid.org/0000-0001-8457-2425"},"institutions":[{"id":"https://openalex.org/I135598925","display_name":"Kyushu University","ror":"https://ror.org/00p4k0j84","country_code":"JP","type":"education","lineage":["https://openalex.org/I135598925"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yuuichi Orimoto","raw_affiliation_strings":["Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences Kyushu University  Fukuoka Japan"],"affiliations":[{"raw_affiliation_string":"Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences Kyushu University  Fukuoka Japan","institution_ids":["https://openalex.org/I135598925"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5055040076","display_name":"Yuriko Aoki","orcid":"https://orcid.org/0000-0001-5243-8192"},"institutions":[{"id":"https://openalex.org/I135598925","display_name":"Kyushu University","ror":"https://ror.org/00p4k0j84","country_code":"JP","type":"education","lineage":["https://openalex.org/I135598925"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Yuriko Aoki","raw_affiliation_strings":["Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences Kyushu University  Fukuoka Japan"],"affiliations":[{"raw_affiliation_string":"Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences Kyushu University  Fukuoka Japan","institution_ids":["https://openalex.org/I135598925"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5055040076"],"corresponding_institution_ids":["https://openalex.org/I135598925"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":2.0222,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.83221968,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"46","issue":"5","first_page":"e70058","last_page":"e70058"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14318","display_name":"Polydiacetylene-based materials and applications","score":0.9998000264167786,"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/T14318","display_name":"Polydiacetylene-based materials and applications","score":0.9998000264167786,"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/T11419","display_name":"Supramolecular Self-Assembly in Materials","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"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/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.9970999956130981,"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/elongation","display_name":"Elongation","score":0.751132607460022},{"id":"https://openalex.org/keywords/monomer","display_name":"Monomer","score":0.6768234968185425},{"id":"https://openalex.org/keywords/diacetylene","display_name":"Diacetylene","score":0.6659371256828308},{"id":"https://openalex.org/keywords/acceptor","display_name":"Acceptor","score":0.5909873843193054},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.5262621641159058},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.4981873035430908},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.4617806375026703},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4521123468875885},{"id":"https://openalex.org/keywords/topology","display_name":"Topology (electrical circuits)","score":0.36223018169403076},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.33742567896842957},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.32624271512031555},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2852100133895874},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.13717785477638245},{"id":"https://openalex.org/keywords/composite-material","display_name":"Composite material","score":0.13506922125816345},{"id":"https://openalex.org/keywords/ultimate-tensile-strength","display_name":"Ultimate tensile strength","score":0.12007901072502136},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1147783100605011},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.1120661199092865},{"id":"https://openalex.org/keywords/polymer","display_name":"Polymer","score":0.11176887154579163},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.06909748911857605}],"concepts":[{"id":"https://openalex.org/C33947775","wikidata":"https://www.wikidata.org/wiki/Q271439","display_name":"Elongation","level":3,"score":0.751132607460022},{"id":"https://openalex.org/C166940927","wikidata":"https://www.wikidata.org/wiki/Q178827","display_name":"Monomer","level":3,"score":0.6768234968185425},{"id":"https://openalex.org/C2777671527","wikidata":"https://www.wikidata.org/wiki/Q422802","display_name":"Diacetylene","level":4,"score":0.6659371256828308},{"id":"https://openalex.org/C2779892579","wikidata":"https://www.wikidata.org/wiki/Q912138","display_name":"Acceptor","level":2,"score":0.5909873843193054},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5262621641159058},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4981873035430908},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.4617806375026703},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4521123468875885},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.36223018169403076},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.33742567896842957},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.32624271512031555},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2852100133895874},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13717785477638245},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.13506922125816345},{"id":"https://openalex.org/C112950240","wikidata":"https://www.wikidata.org/wiki/Q76005","display_name":"Ultimate tensile strength","level":2,"score":0.12007901072502136},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1147783100605011},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.1120661199092865},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.11176887154579163},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.06909748911857605},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","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":2,"locations":[{"id":"doi:10.1002/jcc.70058","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.70058","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"},{"id":"pmid:39921920","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39921920","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":65,"referenced_works":["https://openalex.org/W247901918","https://openalex.org/W1504770578","https://openalex.org/W1964357583","https://openalex.org/W1969094452","https://openalex.org/W1971599238","https://openalex.org/W1975879685","https://openalex.org/W1984980625","https://openalex.org/W1989173947","https://openalex.org/W1993702747","https://openalex.org/W1996795674","https://openalex.org/W2007053858","https://openalex.org/W2015829598","https://openalex.org/W2020948864","https://openalex.org/W2021122837","https://openalex.org/W2026675690","https://openalex.org/W2029576732","https://openalex.org/W2030111894","https://openalex.org/W2031783387","https://openalex.org/W2032411315","https://openalex.org/W2037269372","https://openalex.org/W2038005691","https://openalex.org/W2042654958","https://openalex.org/W2066477394","https://openalex.org/W2070759260","https://openalex.org/W2072656163","https://openalex.org/W2072951578","https://openalex.org/W2076170761","https://openalex.org/W2079889960","https://openalex.org/W2093534098","https://openalex.org/W2101234009","https://openalex.org/W2111182549","https://openalex.org/W2137515420","https://openalex.org/W2142322492","https://openalex.org/W2148284063","https://openalex.org/W2156899924","https://openalex.org/W2328012862","https://openalex.org/W2346069533","https://openalex.org/W2399472378","https://openalex.org/W2466352825","https://openalex.org/W2485584425","https://openalex.org/W2600350847","https://openalex.org/W2604216657","https://openalex.org/W2898313647","https://openalex.org/W2946052355","https://openalex.org/W3007178273","https://openalex.org/W3017260797","https://openalex.org/W3023602172","https://openalex.org/W3040330580","https://openalex.org/W3043600366","https://openalex.org/W3114090723","https://openalex.org/W3136338957","https://openalex.org/W3148880943","https://openalex.org/W3183767639","https://openalex.org/W3187920344","https://openalex.org/W3207106767","https://openalex.org/W3214300643","https://openalex.org/W4200319677","https://openalex.org/W4251872734","https://openalex.org/W4254358318","https://openalex.org/W4280519206","https://openalex.org/W4311239652","https://openalex.org/W6661212443","https://openalex.org/W6675354045","https://openalex.org/W6798838357","https://openalex.org/W6966854503"],"related_works":["https://openalex.org/W2517103401","https://openalex.org/W2026626956","https://openalex.org/W2096912895","https://openalex.org/W2040800589","https://openalex.org/W2950798728","https://openalex.org/W2003705592","https://openalex.org/W1975092596","https://openalex.org/W1498995812","https://openalex.org/W1986269338","https://openalex.org/W3033243090"],"abstract_inverted_index":{"Elongation":[0],"(ELG)":[1],"method-based":[2],"property":[3],"optimization":[4],"(POPT)":[5],"is":[6,25],"an":[7],"effective":[8],"approach":[9],"for":[10,31],"designing":[11,80],"large":[12],"systems":[13,33,81],"from":[14],"one":[15],"terminal":[16],"to":[17,27,72],"the":[18,47,105,136,152],"other.":[19],"An":[20],"alternating":[21,29,59,137],"multi-directional":[22],"ELG":[23],"method":[24],"introduced":[26],"enable":[28],"POPT":[30,109,139],"complex":[32],"with":[34,82],"multiple":[35],"growth":[36],"directions,":[37],"improving":[38],"efficiency.":[39,163],"(Hyper)polarizabilities":[40],"of":[41,100,154],"donor-acceptor-substituted":[42],"polydiacetylenes":[43],"(PDAs)":[44],"aligned":[45],"along":[46],"<mml:math":[48,92,112,142],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\">":[49,93,113,143],"<mml:semantics><mml:mrow><mml:mi>z</mml:mi></mml:mrow>":[50],"<mml:annotation>$$":[51,95,120,146],"z":[52],"$$</mml:annotation></mml:semantics>":[53,97,122,148],"</mml:math>":[54,98,123,149],"-axis":[55],"are":[56,67,127],"optimized":[57],"by":[58],"POPT,":[60],"where":[61],"donor-":[62],"and":[63,70,86,102,160],"acceptor-substituted":[64],"diacetylene":[65],"monomers":[66,126],"alternately":[68],"selected":[69],"attached":[71,129],"two":[73],"PDA":[74],"terminals.":[75],"Alternating":[76],"POPT's":[77],"capability":[78],"in":[79,130,158],"expected":[83],"properties,":[84],"efficiency,":[85],"accuracy":[87],"has":[88],"been":[89],"validated.":[90],"For":[91],"<mml:semantics><mml:mrow><mml:mi>n</mml:mi></mml:mrow>":[94],"n":[96],"types":[99],"donor":[101],"acceptor":[103],"groups,":[104],"existing":[106],"simultaneous":[107],"ELG-based":[108,138],"requires":[110,141],"calculating":[111],"<mml:semantics>":[114],"<mml:mrow>":[115],"<mml:msup><mml:mrow><mml:mi>n</mml:mi></mml:mrow>":[116],"<mml:mrow><mml:mn>2</mml:mn></mml:mrow>":[117],"</mml:msup>":[118],"</mml:mrow>":[119],"{n}^2":[121],"combinations,":[124,150],"as":[125],"simultaneously":[128],"both":[131],"elongation":[132],"directions.":[133],"In":[134],"contrast,":[135],"only":[140],"<mml:semantics><mml:mrow><mml:mn>2</mml:mn>":[144],"<mml:mi>n</mml:mi></mml:mrow>":[145],"2n":[147],"halving":[151],"number":[153],"basis":[155],"functions":[156],"involved":[157],"calculations":[159],"significantly":[161],"enhancing":[162]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1}],"updated_date":"2025-12-28T23:10:05.387466","created_date":"2025-10-10T00:00:00"}