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Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures pp 99–111Cite as

Endohedral Metallofullerenes

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Part of the book series: Carbon Nanostructures ((CARBON))

Abstract

Since their discovery endohedral fullerenes have been extensively investigated because of their novel structure and properties. Electrical properties have been of major interest owing to a variety of possible applications ranging from qubits for quantum computation to organic photovoltaic devices. Our interest in this connection lies in the theoretical determination of the linear and nonlinear optical properties, i.e. the (hyper)polarizabilities, of these materials. For that purpose we have chosen initially to study the prototypical metal endohedral fullerene, Li@C\(_{60}\), and its cation \([\)Li@C\(_{60}]^+\).

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Authors and Affiliations

  1. Institute of Colloid and Water Chemistry, Varnadsky blvd 42, Kiev, Ukraine

    Oleksandr Loboda

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  1. Oleksandr Loboda
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Correspondence to Oleksandr Loboda .

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Loboda, O. (2012). Endohedral Metallofullerenes. In: Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures. Carbon Nanostructures. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-31845-0_4

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