شماره ركورد كنفرانس :
4865
عنوان مقاله :
The gas phase reaction of CH2CH2OH + NH2: A computational study
پديدآورندگان :
Zarepour H hadi.zarepourn@gmail.com University of Zanjan , Douroudgari H douroudgari@znu.ac.ir University of Zanjan , Vahedpoura M vahed@znu.ac.ir University of Zanjan
كليدواژه :
CH3CH2OH , Mechanism , Thermodynamic
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
In the atmosphere, the reactions of CH2CH2OH with active compounds can play an important role in the fate of it. Theoretical investigations on the mechanism of the CH2CH2OH + NH2 reaction carried out in the gas phase. The quantum mechanics methods are used for thermodynamic and mechanism consideration of the title reaction. The rate of the reaction is calculated in the atmospheric conditions. Finally, the exit channel adducts are investigated thermodynamically
