Modeling structure and dynamics of solvated molecular ions: Photodissociation and recombination in I 2- (CO 2 ) n

Chemical Physics

Volumn 239, Issue 1-3, 1998, Pages 525-547

  Faeder, J ^a   Delaney, N ^a   Maslen, P E ^a   Parson, R ^a  

^a UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032276159     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(98)00309-7     Document Type: Article

References (83)

1. Alexander M., Levinger N., Johnson M., Ray D., Lineberger W. J. Chem. Phys. 88:1988;6200.
2. Ray D., Levinger N., Papanikolas J., Lineberger W. J. Chem. Phys. 91:1989;6533.
3. Papanikolas J., Gord J., Levinger N., Ray D., Vorsa V., Lineberger W. J. Phys. Chem. 95:1991;8028.
4. Papanikolas J., Vorsa V., Nadal M., Campagnola P., Gord J., Lineberger W. J. Chem. Phys. 97:1992;7002.
5. Papanikolas J., Vorsa V., Nadal M., Campagnola P., Buchenau H., Lineberger W. J. Chem. Phys. 99:1993;8733.
6. Nadal M.E., Kleiber P.D., Lineberger W.C. J. Chem. Phys. 105:1996;504.
7. Vorsa V., Campagnola P.J., Nandi S., Larsson M., Lineberger W.C. J. Chem. Phys. 105:1996;2298.
8. Vorsa V., Nandi S., Campagnola P.J., Larsson M., Lineberger W.C. J. Chem. Phys. 106:1997;1402.
9. Sanov A., Nandi S., Lineberger W.C. J. Chem. Phys. 108:1998;5155.
10. S. Nandi, A. Sanov, N. Delaney, J. Faeder, R. Parson, W.C. Lineberger, J. Phys. Chem. A, in press.
11. M.E. Nadal, S. Nandi, D.W. Boo, W.C. Lineberger, in preparation.
12. Johnson A.E., Levinger N.E., Barbara P.F. J. Phys. Chem. 96:1992;7841.
13. Kliner D.A.V., Alfano J.C., Barbara P.F. J. Chem. Phys. 98:1993;5375.
14. Alfano J., Kimura Y., Walhout P., Barbara P. Chem. Phys. 175:1993;147.
15. Walhout P.K., Alfano J.C., Thakur K.A.M., Barbara P.F. J. Phys. Chem. 99:1995;7568.
16. Maslen P.E., Papanikolas J.M., Faeder J., Parson R., ONeil S.V. J. Chem. Phys. 101:1994;5731.
17. Papanikolas J.M., Maslen P.E., Parson R. J. Chem. Phys. 102:1995;2452.
18. Gertner B.J., Ando K., Bianco R., Hynes J.T. Chem. Phys. 183:1994;309.
19. Bianco R., Hynes J.T. J. Chem. Phys. 102:1995;7885.
20. Benjamin I., Barbara P.F., Gertner B.J., Hynes J.T. J. Phys. Chem. 99:1995;7557.
21. Batista V.S., Coker D.F. J. Chem. Phys. 106:1997;7102.
22. A.J. Stone, The Theory of Intermolecular Forces, Oxford, New York, 1996.
23. Faeder J., Delaney N., Maslen P., Parson R. Chem. Phys. Lett. 270:1997;196.
24. Delaney N., Faeder J., Maslen P.E., Parson R. J. Phys. Chem. A. 101:1997;8147.
25. Faeder J., Parson R. J. Chem. Phys. 108:1998;3909.
26. P.E. Maslen, J. Faeder, R. Parson, Mol. Phys. 94 (1998) 693.
27. J. Faeder, PhD thesis, University of Colorado, 1998.
28. Maslen P.E., Faeder J., Parson R. Chem. Phys. Lett. 263:1996;63.
29. MOLPRO, a package of ab initio programs by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor, version 94.3 (1994).
30. Zanni M.T., Taylor T.R., Greenblatt B.J., Soep B., Neumark D.M. J. Chem. Phys. 107:1997;7613.
31. Dojahn J.G., Chen E.C.M., Wentworth W.E. J. Phys. Chem. 100:1996;9649.
32. Chen E.C.M., Dojahn J.G., Wentworth W.E. J. Phys. Chem. A. 101:1997;3088.
33. Stone A.J. Chem. Phys. Lett. 83:1981;233.
34. Stone A.J., Alderton M. Mol. Phys. 56:1985;1047.
35. Price S.L., Stone A.J., Alderton M. Mol. Phys. 52:1984;987.
36. Murthy C.S., O'Shea S.F., McDonald I.R. Mol. Phys. 50:1983;531.
37. Weida M.J., Nesbitt D.J. J. Chem. Phys. 105:1996;10210.
38. Stone A.J., Tough R.J.A. Chem. Phys. Lett. 110:1984;123.
39. Thole B.T. Chem. Phys. 59:1981;341.
40. Zhao Y., Arnold C.C., Neumark D.M. J. Chem. Soc. Faraday Trans. 89:1993;1449.
41. Zhao Y., Yourshaw I., Reiser G., Arnold C.C., Neumark D.M. J. Chem. Phys. 101:1994;6538.
42. Yourshaw I., Zhao Y., Neumark D.M. J. Chem. Phys. 105:1996;351.
43. Arnold D.W., Bradforth S.E., Kim E.H., Neumark D.M. J. Chem. Phys. 102:1995;3493.
44. Ladanyi B.M., Parson R. J. Chem. Phys. 107:1997;9326.
45. Ryckaert J.-P., Ciccotti G., Berendsen H.J.C. J. Comput. Phys. 23:1977;327.
46. van Gunsteren W.F., Berendsen H.J.C. Mol. Phys. 34:1977;1311.
47. Ciccotti G., Ferrario M., Ryckaert J.-P. Mol. Phys. 47:1982;1253.
48. Ciccotti G., Ryckaert J.-P. Comput. Phys. Rep. 4:1986;345.
49. Verlet L. Phys. Rev. 159:1967;98.
50. Andersen H.C. J. Comput. Phys. 52:1982;24.
51. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
52. R.S. Berry, Structure and dynamics of clusters: An introduction, in: G. Scoles (Ed.), The Chemical Physics of Atomic and Molecular Clusters, Proceedings of the International School of Physics Enrico Fermi, North-Holland, New York, 1990.
53. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes in C: The Art of Scientific Computing, Cambridge University Press, New York, 2nd edition, 1992.
54. Lu D., Zhao M., Truhlar D.G. J. Comp. Chem. 12:1991;377.
55. Perera L., Amar F.G. J. Chem. Phys. 90:1989;7354.
56. Amar F.G., Perera L. Z. Phys. D. 20:1991;173.
57. Tully J.C., Preston R.K. J. Chem. Phys. 55:1971;562.
58. J.C. Tully, Nonadiabatic processes in molecular collisions, in: W.H. Miller (Ed.), Dynamics of Molecular Collisions, Part B, Plenum, New York, 1976.
59. D.F. Coker, Computer simulation methods for nonadiabatic dynamics in condensed systems, in: M.P. Allen, D.J. Tildesley (Eds.), Computer Simulation in Chemical Physics, Kluwer, Dordrecht, 1993, pp. 315-377.
60. Tully J.C. J. Chem. Phys. 93:1990;1061.
61. Hammes-Schiffer S., Tully J.C. J. Chem. Phys. 101:1994;4657.
62. Coker D.F., Xiao L. J. Chem. Phys. 102:1995;496.
63. Batista V.S., Coker D.F. J. Chem. Phys. 105:1996;4033.
64. Batista V.S., Coker D.F. J. Chem. Phys. 106:1997;6923.
65. Neria E., Nitzan A., Barnett R.N., Landman U. Phys. Rev. Lett. 67:1991;1011.
66. Neria E., Nitzan A. J. Chem. Phys. 99:1993;1109.
67. Bittner E.R., Rossky P.J. J. Chem. Phys. 103:1995;8130.
68. Schwartz B.J., Bittner E.R., Prezhdo O.V., Rossky P.J. J. Chem. Phys. 104:1996;5942.
69. Bittner E., Rossky P. J. Chem. Phys. 107:1997;8611.
70. Heller E.J. J. Chem. Phys. 75:1981;2923.
71. Müller U., Stock G. J. Chem. Phys. 107:1997;6230.
72. W. Pauli, General Principles of Quantum Mechanics, Springer-Verlag, New York, 1980, pages 86-87, translated by P. Achuthan, K. Venkatesan.
73. Preston R.K., Tully J.C. J. Chem. Phys. 54:1971;4297.
74. Tully J.C. J. Chem. Phys. 59:1973;5122.
75. Xiao L., Coker D. J. Chem. Phys. 100:1994;8646.
76. Martinez T.J. Chem. Phys. Lett. 272:1997;139.
77. Krylov A.I., Gerber R.B., Coalson R.D. J. Chem. Phys. 105:1996;4626.
78. Krylov A., Gerber R. J. Chem. Phys. 106:1997;6574.
79. D.C. Rappaport, The Art of Molecular Dynamics Simulation, Cambridge University Press, New York, 1995.
80. Popelier P.L.A., Stone A.J. Mol. Phys. 82:1994;411.
81. J. Faeder, R. Parson, in preparation.
82. C.G. Gray, K.E. Gubbins, Theory of Molecular Fluids, volume 1, Clarendon, Oxford, 1984.
83. K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand, New York, 1979.