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Title

STRUCTURAL PROPERTIES OF ENDOHEDRAL FULLERENES NA@C59X (X=B, N)

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Abstract

 INTRODUCTION: FULLERENES ARE CLOSED HOLLOW CAGES CONSIST OF CARBON ATOMS INTERCONNECTED IN PENTAGONAL AND HEXAGONAL RINGS. VERY SOON AFTER THE DISCOVERY OF FULLERENES, ENDOHEDRAL METALLOFULLERENES, FULLERENES WITH ENCAPSULATED METAL ATOMS AND SUBSTITUTE DOPING (SD), I.E., SUBSTITUTING ONE OR MORE CARBON ATOMS OF FULLERENES BY OTHER ATOMS, WERE OBTAINED. FULLERENES DOPED WITH ALKALINE EARTH AND LANTHANIDE METAL ATOMS ARE OF GREAT INTEREST FOR BOTH EXPERIMENTAL AND THEORETICAL AND THEORETICAL STUDIES OF NEW TYPES OF CHEMICAL SPECIES [1, 2]. IN THIS WORK, WE INVESTIGATED THE STRUCTURAL AND OPTICAL PROPERTIES OF THE C60 AND NA@C59X (X=B, N) CAGES.

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