شماره ركورد كنفرانس :
4865
عنوان مقاله :
The atmospheric reaction of HS + HOCl: 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 :
HOCl , Atmospheric reaction , Thermodynamic
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
Hydrogen abstraction reactions are a key reaction in both combustion and atmospheric chemistry. The atmospheric reaction of HOCl plus SH is investigated Theoretically based on DFT-MN12l and CCSD(T) methods. The energetic parameters of all stationary points through in the path are computed.
