Catalysis of the reaction HCl+HOCl[Formula presented]H2O+Cl2 on an ice surface

Chemical Physics Letters

Volumn 309, Issue 5-6, 1999, Pages 335-343

  Liu, Z F ^a   Siu, C K ^a   Tse, John S ^b  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ICE; MOLECULAR DYNAMICS; REACTION KINETICS;

AB INITIO MOLECULAR DYNAMICS SIMULATION; ACIDIC DISSOCIATION; CATALYTIC EFFECTS; CHLORINE ATOM; ICE SURFACES;

CHLORINE COMPOUNDS;

EID: 0001248554     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00683-1     Document Type: Article

References (35)

1. Richardson, S.L, Francisco, J.S, Mebel, A.M, Morokuma, K, Chem. Phys. Lett., 270, 1997, 395.
2. Wang, T.X, Margerum, D.W, Inorg. Chem., 33, 1994, 1050.
3. Z.F. Liu, C.K. Siu, J.S. Tse, Chem. Phys. Lett., to be published.
4. Horn, A.B, Sodeau, J.R, Roddis, T.B, Williams, N.A, J. Phys. A, 102, 1998, 6107.
5. Koch, T.G, Sodeau, J.R, Faraday Discuss., 100, 1995, 321.
6. Abbatt, J.P.D, Molina, M.J, Geophys. Res. Lett., 19, 1992, 461.
7. Hanson, D.R, Ravishankara, A.R, J. Phys. Chem., 96, 1992, 2682.
8. Donaldson, D.J, Ravishankara, A.R, Hanson, D.R, J. Phys. Chem., 101, 1997, 4717.
9. Molina, M.J, J. Angew. Chem. Int. En. Engl., 35, 1996, 1778.
10. Rowland, F.S, J. Angew. Chem. Int. En. Engl., 35, 1996, 1787.
11. Kroes, G.J, D.C. Clary J. Phys. Chem., 96, 1992, 7079.
12. Ando, K, Hynes, J.T, J. Phys. Chem. B, 101, 1997, 10464.
13. Gertner, B.J, Hynes, J.T, Science, 271, 1996, 1563.
14. Bussolin, G, Casassa, S, Pisani, C, Ugliengo, P, J. Chem. Phys., 108, 1998, 9516.
15. Dibble, T.S, Francisco, J.S, J. Phys. Chem., 99, 1995, 1919.
16. Brown, A.R, Doren, D.J, J. Phys. Chem. B, 101, 1997, 6308.
17. Estrin, D.A, Kohanoff, J, Laria, D.H, Weht, R.O, Chem. Phys. Lett., 280, 1997, 280.
18. Geiger, F.M, Hicks, J.M, de Dios, A.C, J. Phys. Chem. A, 102, 1998, 1514.
19. Xu, S.C, Zhao, X.S, J. Phys. Chem. A, 103, 1999, 2100.
20. Xu, S.C, Zhao, X.S, Acta Phys. Chim. Sinica, 193, 1999, 15.
21. Car, R, Parrinello, M, Phys. Rev. Lett., 55, 1985, 2471.
22. Payne, M.C, Teter, M.P, Allan, D.C, Arias, T.A, Joannopoulos, J.D, Rev. Mod. Phys., 64, 1992, 1045.
23. Kresse, G, J. Furthmüller Phys. Rev. B, 54, 1996, 11169.
24. Tuckerman, M.E, Ungar, P.J, Vonrosenvinge, T, Klein, M.L, J. Phys. Chem., 100, 1996, 12878.
25. Laasonen, K.E, Klein, M.L, J. Am. Chem. Soc., 116, 1994, 11620.
26. Trout, B.L, Parrinello, M, Chem. Phys. Lett., 343, 1998, 288.
27. Kresse, G, Hafner, J, Phys. Rev. B, 47, 1993, 558.
28. Kresse, G, Hafner, J, Phys. Rev. B, 49, 1991, 14251.
29. Ceperley, D.M, Alder, B.J, Phys. Rev. Lett., 45, 1980, 566.
30. J.P. Perdew, in: P. Ziesche, H. Eschrig (Eds.), Electronic Structure of Solids 1991, Academie, Berlin, 1991, p. 11.
31. Kresse, G, Hafner, J, J. Phys. Condens. Matter, 6, 1994, 8245.
32. Bernal, J.D, Fowler, R.H, J. Chem. Phys., 1, 1933, 515.
33. Nosé, S, J. Chem. Phys., 81, 1984, 511.
34. Anderson, H.C, J. Comp. Phys., 52, 1983, 24.
35. Dahl, T, Rœggen, I, J. Am. Chem. Soc., 118, 1996, 4152.