Classical trajectory study of differential cross sections for Li+–CO and N2inelastic collisions

1977 ◽  
Vol 67 (11) ◽  
pp. 5224-5236 ◽  
Author(s):  
Lowell D. Thomas
1993 ◽  
Vol 98 (12) ◽  
pp. 9635-9649 ◽  
Author(s):  
Alexander Goerke ◽  
Hartmut Palm ◽  
C. P. Schulz ◽  
Fernand Spiegelmann ◽  
Ingolf V. Hertel

2012 ◽  
Vol 11 (04) ◽  
pp. 791-810 ◽  
Author(s):  
SHUHUI YIN ◽  
MINGXING GUO ◽  
JINGHAN ZOU ◽  
XUESONG XU ◽  
LI CHE ◽  
...  

A comparative quasi-classical trajectory study on the product alignment and orientation of reactions D + FCl (v,j) → DCl + F , DF + Cl are carried out on a recently computed 12A′ ground-state surface reported by Deskevich et al. The reaction probabilities, integral and differential cross-sections as a function of collision energy are presented. The differential cross-sections and 〈P2(j′ ⋅ k)〉 are governed by different reaction mechanisms for these two reactions. P(θr) and P(ϕr) distributions of products DCl and DF at four selected collision energies of 5, 10, 16 and 30 kcal/mol indicate that DCl and DF product molecules are not only aligned, but also oriented along y-axis. By comparing the P(θr) and P(ϕr) distributions of reactions H + FCl (v = 0,j = 0) → HCl + F and H + FCl (v = 0,j = 0) → HF + Cl , mass factor has some influence on stereodynamics of the title reactions, but the features of PES should have major influence on the difference between dynamics of reactions D + FCl (v = 0,j = 0) → DCl + F and D + FCl (v = 0,j = 0) → DF + Cl .


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