{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,23]],"date-time":"2026-08-23T17:23:02Z","timestamp":1787505782001,"version":"build-2736575974"},"reference-count":126,"publisher":"Royal Society of Chemistry (RSC)","issue":"31","funder":[{"name":"National Science Foundation","award":["EPS-1010094"],"award-info":[{"award-number":["EPS-1010094"]}]},{"DOI":"10.13039\/100000005","name":"U.S. Department of Defense","doi-asserted-by":"crossref","award":["W911NF-15-1-0650"],"award-info":[{"award-number":["W911NF-15-1-0650"]}],"id":[{"id":"10.13039\/100000005","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"crossref","award":["21103224"],"award-info":[{"award-number":["21103224"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<p>\n                    As the first study on metal carbide\/cyanide boron clusterfullerenes, four novel scandium cluster-containing B\n                    <sub>80<\/sub>\n                    buckyball derivatives, namely Sc\n                    <sub>2<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    @B\n                    <sub>80<\/sub>\n                    , Sc\n                    <sub>3<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    @B\n                    <sub>80<\/sub>\n                    , Sc\n                    <sub>3<\/sub>\n                    CN@B\n                    <sub>80<\/sub>\n                    and Sc\n                    <sub>3<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    CN@B\n                    <sub>80<\/sub>\n                    , were investigated by means of density functional theory computations.\n                  <\/p>","DOI":"10.1039\/c6cp02884e","type":"journal-article","created":{"date-parts":[[2016,6,28]],"date-time":"2016-06-28T09:02:46Z","timestamp":1467104566000},"page":"21398-21411","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Scandium carbides\/cyanides in the boron cage: computational prediction of X@B\n                    <sub>80<\/sub>\n                    (X = Sc\n                    <sub>2<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    , Sc\n                    <sub>3<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    , Sc\n                    <sub>3<\/sub>\n                    CN and Sc\n                    <sub>3<\/sub>\n                    C\n                    <sub>2<\/sub>\n                    CN)"],"prefix":"10.1039","volume":"18","author":[{"given":"Peng","family":"Jin","sequence":"first","affiliation":[{"name":"School of Materials Science and Engineering"},{"name":"Hebei University of Technology"},{"name":"Tianjin 300130"},{"name":"P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chang","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering"},{"name":"Hebei University of Technology"},{"name":"Tianjin 300130"},{"name":"P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qinghua","family":"Hou","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering"},{"name":"Hebei University of Technology"},{"name":"Tianjin 300130"},{"name":"P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lanlan","family":"Li","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering"},{"name":"Hebei University of Technology"},{"name":"Tianjin 300130"},{"name":"P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chengchun","family":"Tang","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering"},{"name":"Hebei University of Technology"},{"name":"Tianjin 300130"},{"name":"P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhongfang","family":"Chen","sequence":"additional","affiliation":[{"name":"Department of Chemistry"},{"name":"Institute for Functional Nanomaterials"},{"name":"University of Puerto Rico"},{"name":"San Juan"},{"name":"USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2016]]},"reference":[{"key":"C6CP02884E-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"166804","DOI":"10.1103\/PhysRevLett.98.166804","volume":"98","author":"Szwacki","year":"2007","journal-title":"Phys. Rev. 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