شماره ركورد كنفرانس :
4865
عنوان مقاله :
The effect of water on the HS + HOCl reaction: mechanistic and thermodynamic viewpoints
پديدآورندگان :
. Seydi Kh khadijeseydi@gmail.com , University of Zanjan , Douroudgari H douroudgari@znu.ac.ir , University of Zanjan , Vahedpour M vahed@znu.ac.ir , University of Zanjan
كليدواژه :
CH3OH , 3NH , Gas phase reaction
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
in the atmosphere, the water molecule has an important effect on the active species reactions. The effect of water is explored on the H-abstraction reaction of HOCl with HS in the gas phase mechanistically and thermodynamically. Based on quantum mechanics methods the effect of water is investigated. However, the obtained results in the presence of a water molecule are compared with naked reaction.
