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.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces