๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

The transition state for the epoxidation of ethylene with peroxyformic acid. An ab initio molecular orbital study

โœ Scribed by Plesnicar, Bozo; Tasevski, Milan; Azman, Andrej


Book ID
126330647
Publisher
American Chemical Society
Year
1978
Tongue
English
Weight
414 KB
Volume
100
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


An ab initio molecular orbital study of
โœ Paul Baybutt ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 326 KB

Ab ioitio SCF MO ulculahons have been performed,for the reactants, products and reaction complex in the title rewtion. The infiuence of diffke and polarization basis functions in determining the presence of a reaction barrier was investigated. No barrier to the fonvard or reverse reactions was found

Ab initio molecular orbital calculations
โœ Thomas P. Davis; Stephen C. Rogers ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 407 KB

## Abstract Ab initio molecular orbital calculations have been performed on the transition state for the addition of methyl radical to twelve vinyl monomers using the SV 3โ€“21G basis set. A linear relationship has been found between the calculated energies of activation and previously calculated ene