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Theoretical Study of Endohedral Fullerenes M@C60 (M = Li,Na, or K) in Periodic Boundary Conditions |
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| Authors: | Gafour M. H. Saïl K. Bassou G. Haouzi A. Maloufi N. |
| Affiliation: | 1.Université de Lorraine, CNRS, Arts et Métiers Paris Tech, LEM3, F-57070, Metz, France ;2.Laboratoire de Microscopie, Microanalyse de la Matière et Spectroscopie Moléculaire (L2MSM), Université Djillali Liabès, Sidi Bel Abbes, Algérie ;3.Laboratoire de Synthèse et Catalyse, Université Ibn Khaldoun, Tiaret, Algérie ;4.Univ Lorraine, Lab Excellence Design Alloy Met Low MAss Struct D, F-57070, Metz, France ; |
| Abstract: | Journal of Experimental and Theoretical Physics - Density functional calculations in periodic boundary conditions (PBCs) were performed to investigate the structural and electronic properties of... |
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