شماره ركورد كنفرانس :
4865
عنوان مقاله :
Dynamic and Kinetic Parameters of NH + H _ 2 Reaction on an Interpolated Potential Energy Surface
پديدآورندگان :
Padasha Rahman rahmanp7@yahoo.com Yasouj University , Ramazania Shapour ramazani@yu.ac.ir Yasouj University
تعداد صفحه :
2
كليدواژه :
Reaction dynamics , Cross section , Reaction probability , Imidogen radical
سال انتشار :
1398
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
زبان مدرك :
انگليسي
چكيده فارسي :
Collision of NH radical with H _ 2 molecule was studied on an interpolated potential energy surface using ab-initio calculation. The classical trajectory was studied on this surface to determine the reaction probability. Reaction probability was used to calculate others observable properties like rate constant and cross section. Nonlinear least-squares ftting was also used to calculate the rate constants expressions.
كشور :
ايران
لينک به اين مدرک :
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