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Packed to the Rafters: Filling up C60 with Rare Gas Atoms |
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| Authors: | Dr Ralf Tonner Prof Dr Gernot Frenking Dr Matthias Lein Prof Dr Peter Schwerdtfeger |
| Institution: | 1. Fachbereich Chemie, Philipps‐Universit?t Marburg, 35032 Marburg (Germany), Fax: (+49)?6421‐28‐25566;2. School of Chemical and Physical Sciences, Victoria University, PO Box 600, Wellington (New Zealand);3. Centre for Theoretical Chemistry and Physics (CTCP), The New Zealand Institute for Advanced Study (NZIAS), Massey University Auckland, 0745 Auckland (New Zealand) |
| Abstract: | How many rare gas atoms can be placed into a fullerene cage until the pressure becomes large enough to break the C60 framework? The answer given by density functional and ab initio computations is surprising and underlines the high stability of this unique carbon structure. |
| Keywords: | cluster compounds cluster fullerenes density functional calculations endohedral fullerenes high pressure |