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ChemInform Abstract: Competing 1,3- and 1,2-Hydrogen Shifts in Gaseous Fluoropropyl Cations.

โœ Scribed by Thomas A. Shaler; Dan Borchardt; Thomas Hellman Morton


Publisher
John Wiley and Sons
Year
2010
Weight
28 KB
Volume
31
Category
Article
ISSN
0931-7597

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Facile 1,3-hydrogen shifts in the ฮ  stat
โœ Minh Tho Nguyen ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 366 KB

## I989 1,3-hydrogen shifts in both the neutral and ionized states of formic, monothioformic and dithioformic acids are investigated using ab initio molecular-orbital methods. Geometries of stationary points are optimized at the UHF/6-3 1 G\*\* level while relative energies are determined employin