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Trajectory studies of model H–C–C→H+C = C dissociation. II. Angular momenta and energy partitioning and their relation to non‐RRKM dynamics
1.J. M. Farrar and Y. T. Lee, J. Chem. Phys. 65, 1414 (1976).
2.M. G. Moss, M. D. Ensminger, G. M. Stewart, D. Mordaunt, and J. D. McDonald, J. Chem. Phys. 73, 1256 (1980).
3.G. K. Smith, J. E. Butler, and M. C. Lin, Chem. Phys. Lett. 65, 115 (1979);
3.A. C. Luntz, J. Chem. Phys. 73, 1143 (1980).
4.For example, see the discussion in G. M. McClelland and D. R. Herschbach, J. Phys. Chem. 83, 1445 (1979).
5.P. Brumer and M. Karplus, Faraday Discuss. Chem. Soc. 55, 80 (1973).
6.J. D. McDonald and R. A. Marcus, J. Chem. Phys. 65, 2180 (1976).
7.D. E. Carter, J. Chem. Phys. 65, 2584 (1976).
8.K. S. Sorbie and J. N. Murrell, Mol. Phys. 31, 905 (1976).
9.S. Goursaud, M. Sizun, and F. Fiquet‐Fayard, J. Chem. Phys. 68, 4310 (1978).
10.D. L. Bunker, K. R. Wright, W. L. Hase, and F. A. Houle, J. Phys. Chem. 83, 933 (1979).
11.W. L. Hase, R. J. Wolf, and C. S. Sloane, J. Chem. Phys. 71, 2911 (1979).
12.W. L. Hase, Chem. Phys. Lett. 67, 263 (1979).
13.R. Schinke and W. A. Lester, Jr., J. Chem. Phys. 72, 3754 (1980).
14.R. J. Wolf and W. L. Hase, J. Chem. Phys. 72, 316 (1980).
15.R. J. Wolf and W. L. Hase, J. Chem. Phys. 73, 3779 (1980).
16.R. J. Wolf and W. L. Hase, J. Chem. Phys. 73, 3010 (1980).
17.W. L. Hase, G. Mrowka, R. J. Brudzynski, and C. S. Sloane, J. Chem. Phys. 69, 3548 (1978).
18.W. L. Hase, in Aspects of the Kinetics and Dynamics of Surface Reactions, edited by Uzi Landman (American Institute of Physics, New York, 1980), p. 109.
19.D. L. Bunker, Methods Comput. Phys. 10, 287 (1971).
20.R. N. Porter, L. M. Raff, and W. H. Miller, J. Chem. Phys. 63, 2890 (1975).
21.R. J. Wolf and W. L. Hase (to be published). Approximate opacity functions can be derived from the work presented here by using Eq. (1) and the distributions of b which form
22.W. L. Hase, D. M. Ludlow, R. J. Wolf, and T. Schlick, J. Phys. Chem. 85, 958 (1981).
23.D. L. Bunker, J. Chem. Phys. 37, 393 (1962);
23.D. L. Bunker, 40, 1946 (1964)., J. Chem. Phys.
24.The RRKM calculations were performed using a general RRKM computer program; W. L. Hase and D. L. Bunker, QCPE 11, 234 (1973).
25.RRKM theory predicts the unimolecular rate constant for to be 1. 5 time larger than the one with This small difference is not observed in the trajectory calculations.
26.The effect of rotational energy on the unimolecular rate constant is defined in part I.
27.In general, one would have to integrate over the rotational energies in calculating However, as shown in part I such an integration is unnecessary here since the values, are small and their distributions narrow. See W. J. Chesnavich and M. T. Bowers, in Gas Phase Ion Chemistry, edited by M. T. Bowers (Academic, New York, 1979), Vol. 1, p. 119, for a discussion of using statistical methods to compute relative translational energy distributions.
28. can either add to or subtract from Equation (15) is an average of these two combinations.
29.Given the statistical uncertainties of the trajectory results we find no differences between the first and second moments of the angular momentum distributions.
30.C. F. Melius and R. J. Blint, Chem. Phys. Lett. 64, 183 (1979).
31.G. F. Adams, G. D. Bent, D. D. Purvis, and R. J. Bartlett, J. Chem. Phys. 71, 3697 (1979);
31.T. H. Dunning, Jr., J. Chem. Phys. 73, 2304 (1980)., J. Chem. Phys.
32.W. L. Hase and K. C. Bhalla, J. Chem. Phys. 75, 2807 (1981).
33.See the Appendix in D. L. Bunker and W. L. Hase, J. Chem. Phys. 59, 4621 (1973).
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