Fullerene C50 isomers: Temperature-induced interchange of relative stabilities

Zdeněk Slanina, Ludwik Adamowicz, Dirk Bakowies, Walter Thiel

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The species C50 is treated as a system composed of three local energy minima (D5h, D3, and C2v) found in recent modified neglect of diatomic overlap (MNDO) calculations. Although the D5h species corresponds to the deepest minimum it is the most stable structure only up to about 1390 K. Beyond this temperature the D3 species becomes relatively more populous.

Original languageEnglish (US)
Pages (from-to)249-254
Number of pages6
JournalThermochimica Acta
Volume202
Issue numberC
DOIs
StatePublished - Jun 19 1992

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Fullerenes
Interchanges
Isomers
fullerenes
isomers
Temperature
temperature
energy

ASJC Scopus subject areas

  • Chemistry (miscellaneous)
  • Physical and Theoretical Chemistry

Cite this

Fullerene C50 isomers : Temperature-induced interchange of relative stabilities. / Slanina, Zdeněk; Adamowicz, Ludwik; Bakowies, Dirk; Thiel, Walter.

In: Thermochimica Acta, Vol. 202, No. C, 19.06.1992, p. 249-254.

Research output: Contribution to journalArticle

Slanina, Zdeněk ; Adamowicz, Ludwik ; Bakowies, Dirk ; Thiel, Walter. / Fullerene C50 isomers : Temperature-induced interchange of relative stabilities. In: Thermochimica Acta. 1992 ; Vol. 202, No. C. pp. 249-254.
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