Author/Authors :
Hansen، نويسنده , , Jaron C and Li، نويسنده , , Yumin and Li، نويسنده , , Zhuangjie and Francisco، نويسنده , , Joseph S، نويسنده ,
Abstract :
The reaction of the bromine oxide radical, BrO, with HBr has been examined with coupled-cluster methods. The HO+HCl reaction is also examined and is used to calibrate the results for the BrO+HBr reaction. The heat of reaction and activation energy barrier for BrO+HBr are calculated to be −9.3±4 and 3.6 kcal mol−1, respectively.
