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 journalArticle

11 Citations (Scopus)

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.

Original languageEnglish (US)
Pages (from-to)1259-1263
Number of pages5
JournalJournal of Low Temperature Physics
Volume131
Issue number5-6
DOIs
StatePublished - Jun 2003

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Fullerenes
Superconductivity
fullerenes
superconductivity
Charge distribution
charge distribution
Molecular structure
Electronic structure
molecular structure
electronic structure

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity. / Slanina, Zdeněk; Uhlík, Filip; Lee, Shyi Long; Adamowicz, Ludwik.

In: Journal of Low Temperature Physics, Vol. 131, No. 5-6, 06.2003, p. 1259-1263.

Research output: Contribution to journalArticle

Slanina, Zdeněk ; Uhlík, Filip ; Lee, Shyi Long ; Adamowicz, Ludwik. / Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity. In: Journal of Low Temperature Physics. 2003 ; Vol. 131, No. 5-6. pp. 1259-1263.
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