The OH+H 2 reaction has been investigated theoretically using the recently proposed potential energy surface of Ochoa and Clary (J. Chem. Phys. 102 (1998) 9631) and the most widely used one of Schatz and Elgersma (Chem. Phys. Lett. 73 (1980) 21). The accuracy of the two surfaces in...
molecular beam study17,18 that Br formation of this reaction has orientation dependence which favors the O-end attack. On one hand, the faster rotation of HBr will make H in HBr cannot attack O-end easily; on the other hand, the faster rotation of OH will make O-end having difficulty ...
Theoretical study on the mechanism of the 1CHCl + NO reaction. theoretical calculationsreaction mechanismpotential energy surface (PESmethylene (CH2nitrogen dioxide (NO2The complex doublet potential energy surface of the CH(... J Liu,J Feng,H Chen,... - 《Journal of Computational Chemistry》 ...
The temperature dependence of the rate constant for the reactions of HO with OH, H, Fe and Cu has been determined using pulse radiolysis technique. The following rate constants, (dm mol s) at 20°C and activation energies, (kJ mol) have been found. The reaction with OH was studied in ...
Although, the reaction between ClOH and the H(2)O···HO complex is also predicted to be slower, it is up to 2.2 times faster than the naked reaction at altitudes below 6 km. Another intriguing finding of this work is an interesting three-body interchange reaction that can occur, that...
The reaction between atomic hydrogen and hydroxide ion in aqueous solutions H + OH e/sub eq/ + H2O has been studied by pulse radiolysis. The rate constant was measured at pH 11.7 and 12 by following the growth of the hydrated electron absorption at 600 nm. The activation energy of the re...
VB Gawandi,H Mohan,JP Mittal 摘要: The results of the reaction of an OH radical with a number of functionalized organic sulfides reported here demonstrate that the pH, the nature of the functional group and the chain length affect the nature of the OH radical reaction with sulfides. The ...
The mechanisms for reactions of H, HO, and Cl with HOClO3, important elementary processes in the early stages of the ammonium perchlorate (AP) combustion reaction, have been investigated at the CCSD(T)/6-311+G(3df,2p)//PW91PW91/6-311+G(3df) level of theory. The rate constants for...
A shock tube study of the CO + OH {yields} CO{sub 2} + H reaction The rate coefficient for the title reaction has been determined using mixtures of nitric acid (HNO{sub 3}), carbon monoxide (CO), and argon in incident sho... Wooldridge,M.S,Hanson,... 被引量: 0发表: 1994年 ...
quantum mechanical calculation of the rate constant for the H2+ OH→ H2O+ H reaction[J]. The ...