๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Oxidation of Primary Amines by Dimethyldioxirane: Ab Initio Model Studies

โœ Scribed by Miaskiewicz, Karol; Teich, Nancy A.; Smith, Douglas A.

Book ID
125444925
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
157 KB
Volume
62
Category
Article
ISSN
0022-3263

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Ab initio study of the oxidation of NCN
Ab initio study of the oxidation of NCN by O2
โœ R. S. Zhu; M. C. Lin ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 118 KB

## Abstract The reaction of NCN with O~2~ has been investigated by ab initio molecular orbital and transition state theory calculations. The mechanisms for formation of possible product channels involved in the singlet and triplet potential energy surfaces have been predicted at the highest level o

Pyridine adsorption onto metal oxides: a
Pyridine adsorption onto metal oxides: an ab initio study of model systems
โœ R. Ferwerda; J.H. van der Maas; F.B. van Duijneveldt ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 969 KB

In order to shed some light on the origin of the shifts of the vibrational frequencies of pyridine adsorbed on metal oxides, ab initio calculations have been performed. SCF methods may be used to assign and identify the pyridine vibrations of interest, although coupling of certain vibrational modes