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Cheng Cheng and Li Sheng Ab-Initio study of Helium-small carbon cage systems International Journal of Quantum Chemistry 113

Version of Record online: 10 AUG 2012 | DOI: 10.1002/qua.24303

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The traditional method for opening the electron shells of noble gas atoms involves a strong electronegative atom or group. However, this approach has been so far limited to only heavy noble-gas atoms, such as Kr and Xe. This article presents accurate calculations of He@C8H8 and He@C10H16 cage systems and suggests that they could be used to open the electron shell of a light noble-gas atom.

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