Angle-dependent line-of-centers model

Janssen, M.H.M. and Stolte, S. (1987) Calculation of steric effects in reactive collisions employing the angle-dependent line of centers model. J. Phys. Chem. 91, 5480-5486. 

Connor, J.N.L., Whitehead, J.C. and Jakiibetz, W (1987) Orientation dependence of the F + H2 reaction - analysis of the angle-dependent line-of-centers model. J. Chem. Soc., Faraday Tram. 83. 1703-1718. 

Figure 3.11 Orientation dependence of the cross-section for the reaction H + D2(v= /= 0) HD + D at the two indicated values of the collision energy Ej- The ordinate is dff R/dcos y = 2ctr(cos y). The solid curves were calculated from the angle-dependent line-of-centers model, Eq. (3.34), and the (open and filled) points represent dynamical computations (these are quasi-classical trajectory results that have statistical error bars as discussed in Chapter 5) on the ab initio potential surface referred to in Figure 3.10 [adapted from N. C. Blais, R. B. Bernstein, and R. D. Levine, J. Phys. Chem. 89, 20 (1985)].

This model, generally referred to as the angle-dependent line-of-centers (ADLOG)... 

M. The line-of-centers model with a steric requirement, (a) Derive the result (3.35) for the energy dependence of the reaction cross-section when the barrier depends on the approach angle. The point is that you will have to be care fid about the limits of integration and this will make you think in detail about the energy dependence of the cone of acceptance. See Smith (1980). (b) Derive the results... 

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