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 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 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 1 2003

ASJC Scopus subject areas

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

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