{"id":"https://openalex.org/W2561455148","doi":"https://doi.org/10.1021/acs.jpca.6b11647","title":"Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems","display_name":"Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems","publication_year":2017,"publication_date":"2017-01-01","ids":{"openalex":"https://openalex.org/W2561455148","doi":"https://doi.org/10.1021/acs.jpca.6b11647","mag":"2561455148","pmid":"https://pubmed.ncbi.nlm.nih.gov/28040897"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jpca.6b11647","doi":"https://doi.org/10.1021/acs.jpca.6b11647","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jpca.6b11647","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","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/A5080525797","display_name":"Masayoshi Nakano","orcid":"https://orcid.org/0000-0002-3544-1290","observed_orcids":["https://orcid.org/0000-0002-3544-1290"]},"institutions":[{"id":"https://openalex.org/I4405286351","display_name":"Center for Spintronics Research Network, Osaka University","ror":"https://ror.org/01wqfwp23","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4405286351","https://openalex.org/I98285908"]},{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Masayoshi Nakano","raw_affiliation_strings":["Center\rfor Spintronics Research Network (CSRN), Graduate School of Engineering\rScience, Osaka University, Toyonaka, Osaka 560-8531, Japan","Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":"https://orcid.org/0000-0002-3544-1290","affiliations":[{"raw_affiliation_string":"Center\rfor Spintronics Research Network (CSRN), Graduate School of Engineering\rScience, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I4405286351","https://openalex.org/I98285908"]},{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109373212","display_name":"Kotaro Fukuda","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kotaro Fukuda","raw_affiliation_strings":["Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063251469","display_name":"Soichi Ito","orcid":"https://orcid.org/0000-0001-6550-702X","observed_orcids":["https://orcid.org/0000-0001-6550-702X"]},"institutions":[{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Soichi Ito","raw_affiliation_strings":["Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":"https://orcid.org/0000-0001-6550-702X","affiliations":[{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022266882","display_name":"Hiroshi Matsui","orcid":"https://orcid.org/0000-0001-8730-520X","observed_orcids":["https://orcid.org/0000-0001-8730-520X"]},"institutions":[{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hiroshi Matsui","raw_affiliation_strings":["Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038176153","display_name":"Takanori Nagami","orcid":"https://orcid.org/0000-0001-9252-0596","observed_orcids":["https://orcid.org/0000-0001-9252-0596"]},"institutions":[{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takanori Nagami","raw_affiliation_strings":["Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074573535","display_name":"Shota Takamuku","orcid":"https://orcid.org/0000-0002-8823-7496","observed_orcids":["https://orcid.org/0000-0002-8823-7496"]},"institutions":[{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shota Takamuku","raw_affiliation_strings":["Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080790812","display_name":"Yasutaka Kitagawa","orcid":"https://orcid.org/0000-0002-6583-7026","observed_orcids":["https://orcid.org/0000-0002-6583-7026"]},"institutions":[{"id":"https://openalex.org/I4405286351","display_name":"Center for Spintronics Research Network, Osaka University","ror":"https://ror.org/01wqfwp23","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4405286351","https://openalex.org/I98285908"]},{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yasutaka Kitagawa","raw_affiliation_strings":["Center\rfor Spintronics Research Network (CSRN), Graduate School of Engineering\rScience, Osaka University, Toyonaka, Osaka 560-8531, Japan","Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center\rfor Spintronics Research Network (CSRN), Graduate School of Engineering\rScience, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I4405286351","https://openalex.org/I98285908"]},{"raw_affiliation_string":"Department\rof Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan","institution_ids":["https://openalex.org/I98285908"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5034440812","display_name":"Beno\u00eet R. Champagne","orcid":"https://orcid.org/0000-0003-3678-8875","observed_orcids":["https://orcid.org/0000-0003-3678-8875"]},"institutions":[{"id":"https://openalex.org/I149768937","display_name":"University of Namur","ror":"https://ror.org/03d1maw17","country_code":"BE","type":"education","lineage":["https://openalex.org/I149768937"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Beno\u00eet Champagne","raw_affiliation_strings":["Laboratoire\rde Chimie Th\u00e9orique, University of Namur, rue de Bruxelles,\r61, 5000 Namur, Belgium"],"raw_orcid":"https://orcid.org/0000-0003-3678-8875","affiliations":[{"raw_affiliation_string":"Laboratoire\rde Chimie Th\u00e9orique, University of Namur, rue de Bruxelles,\r61, 5000 Namur, Belgium","institution_ids":["https://openalex.org/I149768937"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5080525797"],"corresponding_institution_ids":["https://openalex.org/I4405286351","https://openalex.org/I98285908"],"apc_list":null,"apc_paid":null,"fwci":1.3776,"has_fulltext":false,"cited_by_count":28,"citation_normalized_percentile":{"value":0.76526,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"121","issue":"4","first_page":"861","last_page":"873"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.7163000106811523,"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/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.7163000106811523,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.20340000092983246,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.013299999758601189,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/diradical-character","display_name":"diradical character","score":0.972000002861023},{"id":"https://openalex.org/keywords/ionic-character","display_name":"ionic character","score":0.9980000257492065},{"id":"https://openalex.org/keywords/open-shell-singlet-states","display_name":"open-shell singlet states","score":0.8349999785423279},{"id":"https://openalex.org/keywords/diradicaloids","display_name":"diradicaloids","score":0.7170000076293945},{"id":"https://openalex.org/keywords/graphene-nanoflakes","display_name":"graphene nanoflakes","score":0.8880000114440918},{"id":"https://openalex.org/keywords/nonlinear-optical-properties","display_name":"nonlinear optical properties","score":0.6359999775886536},{"id":"https://openalex.org/keywords/excited-states","display_name":"excited states","score":0.3700000047683716}],"concepts":[{"id":"https://openalex.org/C117633835","wikidata":"https://www.wikidata.org/wiki/Q5280165","display_name":"Diradical","level":4,"score":0.9911930561065674},{"id":"https://openalex.org/C2182769","wikidata":"https://www.wikidata.org/wiki/Q62500","display_name":"Ionic bonding","level":3,"score":0.8390928506851196},{"id":"https://openalex.org/C37649677","wikidata":"https://www.wikidata.org/wiki/Q53859","display_name":"Open shell","level":2,"score":0.5580014586448669},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.5420949459075928},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.47736597061157227},{"id":"https://openalex.org/C76766466","wikidata":"https://www.wikidata.org/wiki/Q3036629","display_name":"Triplet state","level":3,"score":0.42397943139076233},{"id":"https://openalex.org/C60799052","wikidata":"https://www.wikidata.org/wiki/Q46221","display_name":"Electric field","level":2,"score":0.4164658784866333},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.4159530997276306},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.37835705280303955},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3738137483596802},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.356168657541275},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.32159358263015747},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.19572150707244873},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.18968725204467773},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.12750017642974854},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.11685499548912048},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08271056413650513},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jpca.6b11647","doi":"https://doi.org/10.1021/acs.jpca.6b11647","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jpca.6b11647","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"},{"id":"pmid:28040897","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28040897","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,"listed_in":[],"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":"The journal of physical chemistry. A","raw_type":"Journal Article"},{"id":"pmh:oai:pure.unamur.be:openaire_cris_publications/d458fa33-d31a-4acf-ae56-612d240e2d38","doi":null,"is_oa":false,"landing_page_url":"https://researchportal.unamur.be/en/publications/d458fa33-d31a-4acf-ae56-612d240e2d38","pdf_url":null,"source":{"id":"https://openalex.org/S4406922457","display_name":"Repository of the University of Namur","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nakano, M, Fukuda, K, Ito, S, Matsui, H, Nagami, T, Takamuku, S, Kitagawa, Y & Champagne, B 2017, 'Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems', The Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, vol. 121, no. 4, pp. 861-873. https://doi.org/10.1021/acs.jpca.6b11647","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1447552448","display_name":null,"funder_award_id":"24109002","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G154651095","display_name":null,"funder_award_id":"RCAMS/ KKU /001-16","funder_id":"https://openalex.org/F4320324433","funder_display_name":"King Khalid University"},{"id":"https://openalex.org/G2713154802","display_name":"Creation of open-shell supramolecular optical and magnetic functional materials with multiradical character","funder_award_id":"25248007","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G3612101712","display_name":null,"funder_award_id":"JP26107004","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G5143414714","display_name":"\u958b\u6bbb\u30ca\u30ce\u69cb\u9020\u4f53\u306e\u975e\u7dda\u5f62\u5149\u5b66\u5fdc\u7b54\u7269\u6027\u306b\u95a2\u3059\u308b\u7406\u8ad6\u7814\u7a76","funder_award_id":"15J04949","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G6558608905","display_name":null,"funder_award_id":"JPA2645050","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G8030965280","display_name":null,"funder_award_id":"JP15H00999","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G958100790","display_name":null,"funder_award_id":"JP24109002","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"}],"funders":[{"id":"https://openalex.org/F4320324433","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30"},{"id":"https://openalex.org/F4320334764","display_name":"Japan Society for the Promotion of Science","ror":"https://ror.org/00hhkn466"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":62,"referenced_works":["https://openalex.org/W1514523329","https://openalex.org/W1535106284","https://openalex.org/W1756216110","https://openalex.org/W1967032220","https://openalex.org/W1967206353","https://openalex.org/W1967427815","https://openalex.org/W1972703538","https://openalex.org/W1975961952","https://openalex.org/W1986137173","https://openalex.org/W1987387392","https://openalex.org/W1996649758","https://openalex.org/W2000637544","https://openalex.org/W2008029234","https://openalex.org/W2014301654","https://openalex.org/W2014738150","https://openalex.org/W2016688873","https://openalex.org/W2017629110","https://openalex.org/W2017680718","https://openalex.org/W2020259659","https://openalex.org/W2021060799","https://openalex.org/W2023792996","https://openalex.org/W2025822865","https://openalex.org/W2030628997","https://openalex.org/W2034251075","https://openalex.org/W2047721360","https://openalex.org/W2048318580","https://openalex.org/W2050678421","https://openalex.org/W2053884947","https://openalex.org/W2054179870","https://openalex.org/W2066660427","https://openalex.org/W2066870295","https://openalex.org/W2083043822","https://openalex.org/W2083098961","https://openalex.org/W2084196273","https://openalex.org/W2091673841","https://openalex.org/W2093520285","https://openalex.org/W2094267599","https://openalex.org/W2097509753","https://openalex.org/W2105050546","https://openalex.org/W2112453592","https://openalex.org/W2137368871","https://openalex.org/W2151562103","https://openalex.org/W2153955292","https://openalex.org/W2164048565","https://openalex.org/W2172113819","https://openalex.org/W2266459686","https://openalex.org/W2276752820","https://openalex.org/W2279515881","https://openalex.org/W2315265641","https://openalex.org/W2316937443","https://openalex.org/W2318985745","https://openalex.org/W2319130652","https://openalex.org/W2322836254","https://openalex.org/W2323921122","https://openalex.org/W2333668062","https://openalex.org/W2489132178","https://openalex.org/W2506390925","https://openalex.org/W2559421934","https://openalex.org/W3104925213","https://openalex.org/W4210962488","https://openalex.org/W4211056516","https://openalex.org/W4233515809"],"related_works":["https://openalex.org/W4243522678","https://openalex.org/W2591547754","https://openalex.org/W4416942255","https://openalex.org/W1989479744","https://openalex.org/W599789680","https://openalex.org/W2266459686","https://openalex.org/W4392166129","https://openalex.org/W2258199212","https://openalex.org/W7220231822","https://openalex.org/W4323360731"],"abstract_inverted_index":{"The":[0,41],"diradical":[1,17,46,124,178],"and":[2,18,44,63,102,126,199,220],"ionic":[3,19,130,145,184],"natures":[4],"of":[5,15,24,71,113,192,203,212],"open-shell":[6,174],"singlet":[7,175],"systems":[8],"have":[9],"been":[10],"investigated":[11],"using":[12,51],"new":[13],"definitions":[14],"the":[16,28,69,85,89,94,111,118,123,133,137,149,154,159,162,166,170,190,200,210,217,223],"characters":[20,219],"as":[21,23,77,79,148],"well":[22,78],"their":[25],"densities":[26],"within":[27],"valence":[29],"configuration":[30],"interaction":[31],"(VCI)":[32],"model":[33],"with":[34,83,176,182,209],"two":[35,38],"electrons":[36],"in":[37,68,93,132,165],"active":[39],"orbitals.":[40],"two-site":[42],"symmetric":[43],"asymmetric":[45,201],"models":[47],"are":[48,97],"examined":[49],"by":[50,99,117],"these":[52],"diradical/ionic":[53,218],"characters.":[54],"For":[55],"realistic":[56],"compounds,":[57],"we":[58],"investigate":[59],"a":[60,64,193,204],"diradicaloid":[61],"diphenalenyl":[62],"rectangular":[65],"graphene":[66],"nanoflake":[67],"presence":[70],"an":[72,129],"external":[73],"static":[74,119,194],"electric":[75,120,195],"field,":[76],"\u03c0-stacked":[80],"phenalenyl-derivative":[81],"dimers":[82],"varying":[84],"intermonomer":[86,160,213],"distance,":[87,161],"where":[88],"central":[90],"carbon":[91],"atoms":[92],"phenalenyl":[95,167],"rings":[96],"substituted":[98],"boron":[100],"(B)":[101],"nitrogen":[103],"(N)":[104],"atoms,":[105],"respectively.":[106],"It":[107],"is":[108,141],"found":[109],"that":[110,189],"increase":[112],"charge":[114],"asymmetricity":[115],"induced":[116],"field":[121,150,196],"decreases":[122],"character":[125,131,179],"finally":[127],"induces":[128],"ground":[134],"state,":[135],"while":[136],"first":[138],"excited":[139],"state":[140,172],"changed":[142],"from":[143,173],"pure":[144],"to":[146,180,197],"diradical-dominant":[147],"amplitude":[151],"increases.":[152],"On":[153],"other":[155],"hand,":[156],"when":[157],"increasing":[158],"B/N":[163],"substitution":[164,202],"dimer":[168],"changes":[169],"electronic":[171],"small":[177],"closed-shell":[181],"large":[183],"character.":[185],"These":[186],"results":[187],"indicate":[188],"application":[191],"diradicaloids":[198],"pancake":[205],"bonded":[206],"\u03c0-dimer":[207],"combined":[208],"variation":[211],"distance":[214],"could":[215],"tune":[216],"therefore":[221],"control":[222],"nonlinear":[224],"optical":[225],"responses.":[226]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":5},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":4}],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2017-01-06T00:00:00"}
