화학공학소재연구정보센터
Chemical Physics Letters, Vol.433, No.1-3, 15-18, 2006
The effect of van der Waals resonances on reactive cross sections for the F+HD reaction
In this Letter, we present integral cross sections for the F + HD reaction on the well-studied Stark-Werner (SW) potential energy surface. Time-independent quantum reactive scattering calculations were carried out using very small energy intervals that can resolve sharp van der Waals resonance structures. It has been found that the sharp van der Waals resonance features still survive in the calculated integral cross sections in the collision energy range of 1.3-2.3 kcal/mol even after total angular momentum averaging. (c) 2006 Elsevier B.V. All rights reserved.