๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio SCF study of the addition of the methyl radical to vinyl compounds

โœ Scribed by Fueno, Takayuki; Kamachi, Mikiharu


Book ID
126115143
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
618 KB
Volume
21
Category
Article
ISSN
0024-9297

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ab initio mechanistic studies of radical
โœ Roger Arnaud; Vincenzo Barone; Santiago Olivella; Albert Sole ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 576 KB

Addition of metbyl radicals to ethylene and acetylene has been studwd by nb mitio molecular-orbital calculauons In agreemen! with expcrimenlal dam, we find that, although addition IO ethylene is charactenred by a lower activation energy. addition LO acetylene is faster due to the opposile and larger

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

Ab initio SCF study of the geometries of
โœ Yasuyuki Ishikawa; R.C. Binning Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 413 KB

Ab initio SCF c&zulations using the generalized coupling operator method have been p&formed OR the ground and two excited states of methyl radical. Geometries of the ground and one excited state have been optimized. Vertical transition energies have also been calculated.