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

Research output: Contribution to journal › Article › peer-review

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
General Materials Science
Condensed Matter Physics

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Cite this

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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",

month = jun,

doi = "10.1023/A:1023402605160",

language = "English (US)",

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journal = "Journal of Low Temperature Physics",

issn = "0022-2291",

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AU - Slanina, Zdeněk

AU - Uhlík, Filip

AU - Lee, Shyi Long

AU - Adamowicz, Ludwik

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Y1 - 2003/6

N2 - 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.

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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M3 - Article

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JO - Journal of Low Temperature Physics

JF - Journal of Low Temperature Physics

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ER -

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

Abstract

ASJC Scopus subject areas

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