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Vivian B. Gomez and Kyle A. Beran Energetic stability and electronic properties of exohedral derivatives of C20: C20Xn (X = H, F, Cl; n = 1–4) International Journal of Quantum Chemistry 113

Version of Record online: 24 MAR 2012 | DOI: 10.1002/qua.24034

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Within the fullerene family of molecules, C20 is the smallest member of the family. Due to the large strain energy imposed by the 10 adjacent carbon pentagons, C20 is highly unstable. To stabilize the caged structure for possible experimental synthesis, a series of atoms are attached to the carbon cage exohedrally. This work investigates the energetic stability of C20 derivatives in terms of the relative physical, electronic, and thermodynamic properties of the molecular species.

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