{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T05:16:01Z","timestamp":1782969361688,"version":"3.54.5"},"reference-count":47,"publisher":"Royal Society of Chemistry (RSC)","issue":"36","license":[{"start":{"date-parts":[[2023,8,12]],"date-time":"2023-08-12T00:00:00Z","timestamp":1691798400000},"content-version":"am","delay-in-days":588,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22103006"],"award-info":[{"award-number":["22103006"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    Density functional theory calculations indicate that for exohedral borospherene complexes C\n                    <jats:sub>6<\/jats:sub>\n                    H\n                    <jats:sub>6<\/jats:sub>\n                    TMB\n                    <jats:sub>40<\/jats:sub>\n                    (TM = Sc-Ni), the bonding type between TM and B\n                    <jats:sub>40<\/jats:sub>\n                    changes from \u03b7\n                    <jats:sup>7<\/jats:sup>\n                    (TM = Sc-V) to \u03b7\n                    <jats:sup>6<\/jats:sup>\n                    (TM = Cr-Fe) and then to \u03b7\n                    <jats:sup>7<\/jats:sup>\n                    (TM = Co, Ni) with d electrons increasing.\n                  <\/jats:p>","DOI":"10.1039\/d2cp02436e","type":"journal-article","created":{"date-parts":[[2022,8,12]],"date-time":"2022-08-12T02:01:41Z","timestamp":1660269701000},"page":"21794-21799","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Theoretical study on exohedral complexes C\n                    <sub>6<\/sub>\n                    H\n                    <sub>6<\/sub>\n                    TMB\n                    <sub>40<\/sub>\n                    (TM = Sc-Ni)"],"prefix":"10.1039","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5544-802X","authenticated-orcid":false,"given":"Ling","family":"Pei","sequence":"first","affiliation":[{"name":"Department of Chemical Engineering and Safety, Binzhou University, Binzhou 256603, Shandong, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li-Juan","family":"Zhang","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering and Safety, Binzhou University, Binzhou 256603, Shandong, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7338-7790","authenticated-orcid":false,"given":"Da-Zhi","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering and Safety, Binzhou University, Binzhou 256603, Shandong, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2022]]},"reference":[{"key":"D2CP02436E\/cit1\/1","doi-asserted-by":"crossref","first-page":"162","DOI":"10.1038\/318162a0","volume":"318","author":"Kroto","year":"1985","journal-title":"Nature"},{"key":"D2CP02436E\/cit2\/1","first-page":"1423","author":"Roger","year":"1990","journal-title":"J. Chem. Soc., Chem. Commun."},{"key":"D2CP02436E\/cit3\/1","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1016\/j.poly.2008.11.015","volume":"28","author":"Salcedo","year":"2009","journal-title":"Polyhedron"},{"key":"D2CP02436E\/cit4\/1","doi-asserted-by":"crossref","first-page":"2330","DOI":"10.1134\/S1063783407120190","volume":"49","author":"Gal\u2019pern","year":"2007","journal-title":"Phys. Solid State"},{"key":"D2CP02436E\/cit5\/1","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1016\/S1387-3806(98)14239-2","volume":"182","author":"Buchanan","year":"1999","journal-title":"Int. J. Mass Spectrom."},{"key":"D2CP02436E\/cit6\/1","doi-asserted-by":"crossref","first-page":"9398","DOI":"10.1021\/jp106129r","volume":"114","author":"Zhu","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"D2CP02436E\/cit7\/1","doi-asserted-by":"crossref","first-page":"4409","DOI":"10.1021\/om2012858","volume":"31","author":"Xu","year":"2012","journal-title":"Organometallics"},{"key":"D2CP02436E\/cit8\/1","doi-asserted-by":"crossref","first-page":"035101","DOI":"10.1088\/0953-4075\/46\/3\/035101","volume":"46","author":"Yang","year":"2013","journal-title":"J. Phys. B: At., Mol. Opt. Phys."},{"key":"D2CP02436E\/cit9\/1","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1038\/nchem.1999","volume":"6","author":"Zhai","year":"2014","journal-title":"Nat. Chem."},{"key":"D2CP02436E\/cit10\/1","doi-asserted-by":"crossref","first-page":"194","DOI":"10.1007\/s00894-018-3731-7","volume":"24","author":"Rostami","year":"2018","journal-title":"J. Mol. Model."},{"key":"D2CP02436E\/cit11\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.molliq.2018.05.046","volume":"264","author":"Yong","year":"2018","journal-title":"J. Mol. Liq."},{"key":"D2CP02436E\/cit12\/1","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1016\/j.physe.2017.02.018","volume":"89","author":"Moradi","year":"2017","journal-title":"Phys. E"},{"key":"D2CP02436E\/cit13\/1","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1016\/j.cplett.2016.05.014","volume":"654","author":"Shakerzadeh","year":"2016","journal-title":"Chem. Phys. Lett."},{"key":"D2CP02436E\/cit14\/1","doi-asserted-by":"crossref","first-page":"11208","DOI":"10.1021\/acs.jpca.5b07173","volume":"119","author":"Fa","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"D2CP02436E\/cit15\/1","doi-asserted-by":"crossref","first-page":"35518","DOI":"10.1038\/srep35518","volume":"6","author":"Bai","year":"2016","journal-title":"Sci. Rep."},{"key":"D2CP02436E\/cit16\/1","doi-asserted-by":"crossref","first-page":"12024","DOI":"10.1039\/C6CP01096B","volume":"18","author":"An","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP02436E\/cit17\/1","doi-asserted-by":"crossref","first-page":"941","DOI":"10.1002\/anie.201408738","volume":"54","author":"Bai","year":"2015","journal-title":"Angew. Chem., Int. Ed."},{"key":"D2CP02436E\/cit18\/1","doi-asserted-by":"crossref","first-page":"38526","DOI":"10.1039\/C7RA05932A","volume":"7","author":"Li","year":"2017","journal-title":"RSC Adv."},{"key":"D2CP02436E\/cit19\/1","doi-asserted-by":"crossref","first-page":"09952","DOI":"10.1038\/srep09952","volume":"5","author":"Dong","year":"2015","journal-title":"Sci. Rep."},{"key":"D2CP02436E\/cit20\/1","doi-asserted-by":"crossref","first-page":"40155","DOI":"10.1039\/C6RA00179C","volume":"6","author":"Wang","year":"2016","journal-title":"RSC Adv."},{"key":"D2CP02436E\/cit21\/1","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1007\/s00214-014-1612-4","volume":"134","author":"Jin","year":"2015","journal-title":"Theor. Chem. Acc."},{"key":"D2CP02436E\/cit22\/1","doi-asserted-by":"crossref","first-page":"16992","DOI":"10.1016\/j.ijhydene.2016.07.118","volume":"41","author":"Tang","year":"2016","journal-title":"Int. J. Hydrogen Energy"},{"key":"D2CP02436E\/cit23\/1","doi-asserted-by":"crossref","first-page":"5701","DOI":"10.1038\/s41598-017-06039-9","volume":"7","author":"Li","year":"2017","journal-title":"Sci. Rep."},{"key":"D2CP02436E\/cit24\/1","doi-asserted-by":"crossref","first-page":"114699","DOI":"10.1016\/j.poly.2020.114699","volume":"188","author":"Hamadi","year":"2020","journal-title":"Polyhedron"},{"key":"D2CP02436E\/cit25\/1","doi-asserted-by":"crossref","first-page":"112823","DOI":"10.1016\/j.comptc.2020.112823","volume":"1181","author":"Mao","year":"2020","journal-title":"Comput. Theor. Chem."},{"key":"D2CP02436E\/cit26\/1","doi-asserted-by":"crossref","first-page":"113759","DOI":"10.1016\/j.molliq.2020.113759","volume":"315","author":"Sun","year":"2020","journal-title":"J. Mol. Liq."},{"key":"D2CP02436E\/cit27\/1","doi-asserted-by":"crossref","first-page":"111638","DOI":"10.1016\/j.molliq.2019.111638","volume":"294","author":"Keyhanian","year":"2019","journal-title":"J. Mol. Liq."},{"key":"D2CP02436E\/cit28\/1","doi-asserted-by":"crossref","first-page":"1916","DOI":"10.1007\/s10825-021-01731-6","volume":"20","author":"Kaur","year":"2021","journal-title":"J. Comput. Electron."},{"key":"D2CP02436E\/cit29\/1","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1140\/epjd\/e2019-90357-0","volume":"73","author":"Cheng","year":"2019","journal-title":"Eur. Phys. J. D"},{"key":"D2CP02436E\/cit30\/1","doi-asserted-by":"crossref","first-page":"3350","DOI":"10.1002\/asia.201601301","volume":"11","author":"Karmodak","year":"2016","journal-title":"Chem. \u2013 Asian J."},{"key":"D2CP02436E\/cit31\/1","doi-asserted-by":"crossref","first-page":"1363","DOI":"10.1007\/s10876-019-01747-w","volume":"31","author":"Pei","year":"2020","journal-title":"J. Cluster Sci."},{"key":"D2CP02436E\/cit32\/1","doi-asserted-by":"crossref","first-page":"22611","DOI":"10.1039\/C9CP03252E","volume":"21","author":"Zan","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP02436E\/cit33\/1","doi-asserted-by":"crossref","first-page":"650","DOI":"10.1063\/1.438955","volume":"72","author":"Krishnan","year":"1980","journal-title":"J. Chem. Phys."},{"key":"D2CP02436E\/cit34\/1","doi-asserted-by":"crossref","first-page":"6158","DOI":"10.1063\/1.478522","volume":"110","author":"Adamo","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D2CP02436E\/cit35\/1","doi-asserted-by":"crossref","first-page":"12129","DOI":"10.1063\/1.1626543","volume":"119","author":"Staroverov","year":"2003","journal-title":"J. Chem. Phys."},{"key":"D2CP02436E\/cit36\/1","doi-asserted-by":"crossref","first-page":"6317","DOI":"10.1021\/ja960582d","volume":"118","author":"Schleyer","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP02436E\/cit37\/1","doi-asserted-by":"crossref","first-page":"3842","DOI":"10.1021\/cr030088+","volume":"105","author":"Chen","year":"2005","journal-title":"Chem. Rev."},{"key":"D2CP02436E\/cit39\/1","doi-asserted-by":"crossref","first-page":"7211","DOI":"10.1021\/ja00544a007","volume":"102","author":"Weinhold","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP02436E\/cit40\/1","doi-asserted-by":"crossref","first-page":"4066","DOI":"10.1063\/1.445134","volume":"78","author":"Reed","year":"1983","journal-title":"J. Chem. Phys."},{"key":"D2CP02436E\/cit41\/1","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1063\/1.449486","volume":"83","author":"Reed","year":"1985","journal-title":"J. Chem. Phys."},{"key":"D2CP02436E\/cit42\/1","doi-asserted-by":"crossref","first-page":"1429","DOI":"10.1002\/jcc.23266","volume":"34","author":"Glendening","year":"2013","journal-title":"J. Comput. Chem."},{"key":"D2CP02436E\/cit43\/1","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1021\/acs.jpca.9b10113","volume":"124","author":"Casals-Sainz","year":"2020","journal-title":"J. Phys. Chem. A"},{"key":"D2CP02436E\/cit44\/1","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1002\/jcc.23861","volume":"36","author":"Menendez","year":"2015","journal-title":"J. Comput. Chem."},{"key":"D2CP02436E\/cit45\/1","first-page":"2393","volume":"69","author":"Lu","year":"2011","journal-title":"Acta Chim. Sin."},{"key":"D2CP02436E\/cit46\/1","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/j.cpc.2004.12.014","volume":"167","author":"Vondele","year":"2005","journal-title":"Comput. Phys. Commun."},{"key":"D2CP02436E\/cit47\/1","doi-asserted-by":"crossref","first-page":"7358","DOI":"10.1002\/anie.201601548","volume":"55","author":"Li","year":"2016","journal-title":"Angew. Chem., Int. Ed."},{"key":"D2CP02436E\/cit48\/1","doi-asserted-by":"crossref","first-page":"3799","DOI":"10.1021\/ja0035452","volume":"123","author":"Pandey","year":"2001","journal-title":"J. Am. Chem. Soc."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2022\/CP\/D2CP02436E","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T04:04:44Z","timestamp":1782965084000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/24\/36\/21794-21799\/761592"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022]]},"references-count":47,"journal-issue":{"issue":"36","published-print":{"date-parts":[[2022,9,21]]}},"URL":"https:\/\/doi.org\/10.1039\/d2cp02436e","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022]]}}}