𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio study of some free-radical homolytic substitution reactions at halogen

✍ Scribed by Carl H. Schiesser; Bruce A. Smart; Tu-Anh Tran

Publisher
Elsevier Science
Year
1995
Tongue
French
Weight
580 KB
Volume
51
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Reaction of OH radical with mono-, di-,
Reaction of OH radical with mono-, di-, and trichloroacetaldehyde: an ab initio study
✍ Asit K. Chandra; Tadafumi Uchimaru πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 190 KB πŸ‘ 2 views

## Abstract The hydrogen abstraction reactions between chlorine‐substituted acetaldehydes and OH radicals have been investigated by using __ab initio__ molecular orbital theory. Equilibrium geometries and transition‐state structures have been optimized at the (U)MP2/6‐311G(d,p) level. Activation ba

An ab initio study of the reaction betwe
An ab initio study of the reaction between FO radicals and H2O
✍ Joseph S. Franciso; Yi Su πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 359 KB

Ab initio calculations are used to examine the energetics for the reaction of FO radicals and H,O. Optimized geometries have been calculated for all reactants, transition states, and products at the unrestricted second-order Msller-Plesset perturbation level of theory. Both Msller-Plesset perturbati