๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Computational study of the kinetics and mechanisms for the reaction of H atoms with c-C5H6

โœ Scribed by L.V. Moskaleva; M.C. Lin


Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
269 KB
Volume
29
Category
Article
ISSN
1540-7489

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Kinetics and mechanism for the H-for-X e
โœ I. V. Tokmakov; M. C. Lin ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 373 KB ๐Ÿ‘ 1 views

## Abstract The addition of H atoms to benzene and toluene and subsequent transformations were investigated using high level ab initio and density functional theory methods. Molecular structures and vibrational frequencies calculated at the B3LYP/6โ€311++G(d,p) level of theory were used in combinati

Computational studies on the mechanism a
โœ Xiu-Juan Jia; You-Jun Liu; Jing-Yu Sun; Hao Sun; Fang Wang; Zhong-Min Su; Xiu-Me ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 337 KB ๐Ÿ‘ 2 views

The dual-level direct kinetics method has been used to investigate the multichannel reactions of C(2)H(5)I + Cl. Three hydrogen abstraction channels and one displacement process are found for the title reaction. The calculation indicates that the hydrogen abstraction from -CH(2)- group is the domina

Kinetics and mechanism for the reactions
โœ D. Martin; J. L. Jourdain; G. Le Bras ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 462 KB ๐Ÿ‘ 1 views

A kinetic study of the reactions of H atoms with CH,SH and C2H6SH has been carried out at 298 K by the discharge flow technique with EPR and mass spectrometric analysis of the species. The pressure was 1 torr. It was found: k1 = (2.20 \* 0.20) x lo-'' for the reaction H + CH3SH (1) and k2 = (2.40 t

Kinetics of the reaction of C6H5 with HB
โœ M. C. Lin; T. Yu ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 308 KB ๐Ÿ‘ 2 views

The rate constant for the reaction of phenyl radical with hydrogen bromide has been measured with the cavity-ring-down method a t six temperatures between 297 and 523 K. The Arrhenius expression for the H abstraction reaction can be effectively given by: k4 = 10-10.3950.10 exp[-(551 ? 19)/T] cm3/s.

The kinetics of the reaction: Br + C3H6
โœ Osamu Kondo; Roger M. Marshall; Sidney W. Benson ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 449 KB ๐Ÿ‘ 1 views

Studies of the reaction of Br + propylene to produce HBr and ally1 radical were made using VLPR (Very Low Pressure Reactor) over the range 263-363 K. Apparent bimolecular rate constants k;PP were found to vary in an inverse manner with the initial concentration of bromine atoms introduced into the r

Kinetics of the reaction of C6H5 with HB
โœ T. Yu; M. C. Lin ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 394 KB ๐Ÿ‘ 2 views

The rate constants for the reaction of with HBr and DBr have been measured with the cavityring-down method in the temperature range of 297 to 523 K and 297 to 500 K, respectively. These rate constants can be effectively represented, in units of cm3/s, by exp[(-554 2 208)/T] and kHLlr = 10-10.40?0.24