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A theoretical investigation of the structures and properties of peroxyl radicals

โœ Scribed by Boyd, Susan L.; Boyd, Russell J.; Barclay, L. Ross C.

Book ID
126871385
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
699 KB
Volume
112
Category
Article
ISSN
0002-7863

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Structure of isolated and solvated perox
Structure of isolated and solvated peroxyl radicals
โœ Aplincourt, P.; Ruiz-L๏ฟฝpez, M. F.; Assfeld, X.; Bohr, F. ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 204 KB ๐Ÿ‘ 1 views

We have investigated the structure of HO and a series of alkyl 2 peroxyl radicals ROO using a variety of quantum mechanical methods. We first compute the geometries, vibrational frequencies, electronic charge distributions, and spin densities for the series of radicals considered in the gas phase. S