Ab initiocalculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24
نویسندگان
چکیده
منابع مشابه
Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24.
Chemical stabilities of six low-energy isomers of C24 derived from global-minimum search are investigated. The six isomers include one classical fullerene (isomer 1) whose cage is composed of only five- and six-membered rings (56-MRs), three nonclassical fullerene structures whose cages contain at least one four-membered ring (4-MR), one plate, and one monocyclic ring. Chemical and electronic p...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2008
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2831917