Molecular orbital studies of the conformation of peroxyacetic acid

Leonard M Hjelmeland, Gilda H. Loew

Research output: Contribution to journalArticle

16 Scopus citations

Abstract

A conformational study of peroxyacetic acid has been performed using both STO-3G and PCILO molecular orbital methods. The totally planar, cis conformer is obtained by both methods and is consistent with X-ray, infrared, and dipole moment results.

Original languageEnglish (US)
Pages (from-to)309-314
Number of pages6
JournalChemical Physics Letters
Volume32
Issue number2
DOIs
StatePublished - Apr 15 1975
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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