A classification of 200 isomerizations among 51 isotopomers of C8 (D2d)

Z. Slanina, F. Uhlík, L. Adamowicz

Research output: Contribution to journalArticlepeer-review

Abstract

The set of all 51 possible12C/13C isotopomers of a C8 cluster of D2d symmetry has been studied by means of the harmonic vibration analysis based on the force field resulting from the second order Møller-Plesset (MP2) perturbation treatment with the 6-31G* basis set. The isotopomers can undergo 200 isomerizations which can be classified into 5 distinct groups using the properties of sums of the squares of harmonic vibrational frequencies.

Original languageEnglish (US)
Pages (from-to)373-380
Number of pages8
JournalJournal of Radioanalytical and Nuclear Chemistry Articles
Volume170
Issue number2
DOIs
StatePublished - May 1 1993

ASJC Scopus subject areas

  • Analytical Chemistry
  • Nuclear Energy and Engineering
  • Radiology Nuclear Medicine and imaging
  • Pollution
  • Spectroscopy
  • Public Health, Environmental and Occupational Health
  • Health, Toxicology and Mutagenesis

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