Title Theoretical study of the stable states of small carbon clusters $C_{n}$ (n=210)Theoretical study of the stable states of small carbon clusters $C_{n}$ (n=210) Author Kosimov, D.P. Dzhurakhalov, A.A. Peeters, F.M. Faculty/Department Faculty of Sciences. Physics Research group Molecular Plant Physiology and Biotechnology Condensed Matter Theory Plasma, laser ablation and surface modeling - Antwerp (PLASMANT) Publication type article Publication 2008Lancaster, Pa, 2008 Subject Physics Source (journal) Physical review : B : solid state. - Lancaster, Pa, 1970 - 1978 Volume/pages 78(2008):23, p. 235433,1-235433,8 ISSN 0556-2805 ISI 000262245400119 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25. Full text (open access) https://repository.uantwerpen.be/docman/irua/55d2cc/d494698a.pdf E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000262245400119&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000262245400119&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000262245400119&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle