Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity

Zdeněk Slanina; Filip Uhlík; Shyi Long Lee; Ludwik Adamowicz

doi:10.1023/A:1023402605160

Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity

Zdeněk Slanina, Filip Uhlík, Shyi Long Lee, Ludwik Adamowicz

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11 Scopus citations

Abstract

Quantum-chemical computations can supply molecular details useful in understanding fullerence-based superconductivity. This paper deals with computations of three related systems: C₆₀ & Li, C₆₀ & CHCl₃ and C₆₀ & CHBr₃. Their molecular and electronic structures are discussed, especially charge distributions. Computations are also reported on a model system C^6-₆₀.

Original language	English (US)
Pages (from-to)	1259-1263
Number of pages	5
Journal	Journal of Low Temperature Physics
Volume	131
Issue number	5-6
DOIs	https://doi.org/10.1023/A:1023402605160
State	Published - Jun 2003

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Materials Science(all)
Condensed Matter Physics

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title = "Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity",

abstract = "Quantum-chemical computations can supply molecular details useful in understanding fullerence-based superconductivity. This paper deals with computations of three related systems: C60 & Li, C60 & CHCl3 and C60 & CHBr3. Their molecular and electronic structures are discussed, especially charge distributions. Computations are also reported on a model system C6-60.",

author = "Zden{\v e}k Slanina and Filip Uhl{\'i}k and Lee, {Shyi Long} and Ludwik Adamowicz",

year = "2003",

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AB - Quantum-chemical computations can supply molecular details useful in understanding fullerence-based superconductivity. This paper deals with computations of three related systems: C60 & Li, C60 & CHCl3 and C60 & CHBr3. Their molecular and electronic structures are discussed, especially charge distributions. Computations are also reported on a model system C6-60.

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Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity

Abstract

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