Quasiclassical trajectory method for molecular scattering processes: Necessity of a weighted binning approach

Chemical Physics Letters

Volumn 277, Issue 1-3, 1997, Pages 183-190

  Bonnet, L ^a   Rayez, J C ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031551540     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00881-6     Document Type: Article

References (17)

1. [1] K.S. Bradley, G.C. Schatz, J. Phys. Chem. 98 (1994) 3788.
2. [2] G.C. Schatz, in: Potential Energy Surfaces and Dynamics Calculations, ed. D. Truhlar (Plenum Press, New York, 1981), p. 287.
3. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
4. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
5. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
6. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
7. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
8. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
9. [3] I.C. Percival, Adv. Chem. Phys. 36 (1977) 1; D.W. Noid, M.L. Koszykowski and R.A. Marcus, Annu. Rev. Phys. Chem. 32 (1981) 267; K. Kudla and G.C. Schatz, Chem. Phys. 175 (1993) 71; C.W. Eaker and G.C. Shatz, J. Chem. Phys. 81 (1984) 2394; C.W. Eaker, G.C. Shatz, N. DeLeon and E.J. Heller, J. Chem. Phys. 81 (1984) 5913; R.J. Duchovic and G.C. Shatz, J. Chem. Phys. 84 (1986) 2239; C.C. Martens and G.S. Ezra, J. Chem. Phys. 83 (1985) 2990.
10. [4] D.H. Zhang, J.C. Light, J. Chem. Phys. 105 (1996) 1291.
11. [5] A. Wagner and E. Parks, J. Chem. Phys. 65 (1976) 4343; L. Bonnet and J.C. Rayez, Chem. Phys. 201 (1995) 203.
12. [5] A. Wagner and E. Parks, J. Chem. Phys. 65 (1976) 4343; L. Bonnet and J.C. Rayez, Chem. Phys. 201 (1995) 203.
13. [6] P. Pechukas in: Dynamics of Molecular Collisions, Part B (Vol. 2 of Modern Theoretical Chemistry), ed. W.H. Miller (Plenum Press, New York, 1976), Ch. 6
14. [7] T. Baer and W.L. Hase, Unimolecular Reaction Dynamics, Theory and Experiments (Oxford University Press, 1996)
15. [8] D.G. Truhlar, N.C. Blais, J. Chem. Phys. 67 (1977) 1532.
16. [9] A. Kosmas, E.A. Gislason, A.D. Jorgensen, J. Chem. Phys. 75 (1981) 2884.
17. [10] G.C. Schatz, J.L. Colton, M.C. Grant, J. Phys. Chem. 88 (1984) 2971.