scholarly journals Erratum: “Quantum wave-packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant” [J. Chem. Phys. 121, 7681 (2004)]

2005 ◽  
Vol 122 (2) ◽  
pp. 029902 ◽  
Author(s):  
R. Padmanaban ◽  
S. Mahapatra
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen

This chapter discusses bimolecular reactions from both a microscopic and macroscopic point of view. The outcome of an isolated reactive scattering event can be specified in terms of an intrinsic fundamental quantity, the reaction cross-section that can be measured in a molecular beam experiment. It depends on the quantum states of the molecules as well as the relative velocity of reactants and products. The relation between the cross-section and the macroscopic rate constant is derived. The rate constant is a weighted average of the product between the relative speed of the reactants and the reaction cross-section. The chapter concludes with the special case of thermal equilibrium, where the velocity distributions for the molecules are the Maxwell–Boltzmann distribution. The expression for the rate constant at temperature T is reduced to a one-dimensional integral over the relative speed of the reactants.


2010 ◽  
Vol 68 (9) ◽  
pp. 1656-1661 ◽  
Author(s):  
M.S. Uddin ◽  
M.R. Zaman ◽  
S.M. Hossain ◽  
I. Spahn ◽  
S. Sudár ◽  
...  

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