{"corpus_id":12730190,"paper_sha":"f736d9385d4ff16382dc2a018e2dcc0af783f6c6","doi":"10.2478/BF02476279","arxiv_id":null,"pmid":null,"pmcid":null,"mag_id":2019268258,"dblp_id":"journals/fgcs/Sheka04","acl_id":null,"title":"Fullerenes as polyradicals","year":2004,"publication_date":"2004-03-01","venue":"Future generations computer systems","journal":{"name":"Central European Journal of Physics","pages":"160-182","volume":"2"},"journal_issn":null,"journal_title":null,"publication_types":["JournalArticle"],"pubmed_pub_types":null,"s2_fields_of_study":["Physics","Computer Science"],"reference_count":90,"citation_count":17,"influential_citation_count":0,"is_open_access":true,"arxiv_categories":null,"arxiv_license":null,"arxiv_journal_ref":null,"mesh_headings":null,"chemicals":null,"comments_corrections":null,"source_flags":1,"s2_open_access_pdf_url":"http://biochempress.com/Files/IECMD_2003/IECMD_2003_054.pdf","s2_open_access_landing_url":"https://www.semanticscholar.org/paper/f736d9385d4ff16382dc2a018e2dcc0af783f6c6","s2_open_access_license":"CCBYNCND","s2_open_access_status":"HYBRID","pmc_open_access_pdf_url":null,"pmc_open_access_landing_url":null,"pmc_open_access_license":null,"pmc_open_access_status":null,"unpaywall_open_access_pdf_url":null,"unpaywall_open_access_landing_url":null,"unpaywall_open_access_license":null,"unpaywall_open_access_status":null,"abstract":"We present the investigation of the electronic structure of X60 molecules (X=C, Si), containing 60 odd electrons with spin-dependent interaction between them. Conditions for the electrons to be excluded from the covalent pairing are discussed. A computational spin-polarized quantum-chemical scheme is suggested to evaluate four parameters—energy of radicalization, exchange integral, atom spin density, and squared spin— to characterize the effect quantitatively. A polyradical character of the species, weak for C60 and strong for Si60, is established.","claims":[{"public_id":"cl_015872c5300ac8f37bb569b751e03837","status":"active","text":"A spin-polarized quantum-chemical scheme using energy of radicalization, exchange integral, atom spin density, and squared spin quantifies the polyradical character of X60 molecules.","confidence":0.95,"contributors":[{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["extraction"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/claims/cl_015872c5300ac8f37bb569b751e03837"},{"public_id":"cl_f19cb4d85017d3fdf687edc111731ca0","status":"active","text":"C60 exhibits weak polyradical character.","confidence":0.98,"contributors":[{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous 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