A combined instantaneous normal mode and time correlation function description of the infrared vibrational spectrum of ambient water

Journal of Chemical Physics

Volumn 111, Issue 23, 1999, Pages 10622-10632

  Ahlborn, Heather ^a   Ji, Xingdong ^a   Space, Brian ^a   Moore, Preston B ^b  

^a DUQUESNE UNIVERSITY   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000494891     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480415     Document Type: Article

References (56)

1. T. Keyes, J. Phys. Chem. 101, 2921 (1997).
2. R. M. Stratt, Acc. Chem. Res. 28, 201 (1995).
3. J. Adams and R. Stratt, J. Chem. Phys. 93, 1632 (1990).
4. B. Ladanyi and R. Stratt, J. Phys. Chem. 99, 2502 (1995).
5. T. Keyes, J. Chem. Phys. 104, 9349 (1996).
6. P. Moore and T. Keyes, J. Chem. Phys. 100, 6709 (1994).
7. P. Moore, A. Tokmakoff, T. Keyes, and M. Fayer, J. Chem. Phys. 103, 3325 (1995).
8. B. Space, H. Rabitz, A. Lorincz, and P. Moore, J. Chem. Phys. 105, 9515 (1996).
9. P. Moore and B. Space, J. Chem. Phys. 107, 5635 (1997).
10. P. B. Moore, X. Ji, H. Ahlborn, and B. Space, Chem. Phys. Lett. 296, 259 (1998).
11. T. Keyes, J. Chem. Phys. 106, 46 (1997).
12. J. R. Reimers and R. O. Watts, Chem. Phys. 91, 201 (1984).
13. M. C. C. Ribeiro, M. Wilson, and P. Madden, J. Chem. Phys. 110, 4803 (1999).
14. J. T. Kindt and C. A. Schmuttenmaer, J. Chem. Phys. 106, 4389 (1997).
15. R. L. Murry, J. T. Fourkas, and T. Keyes, J. Chem. Phys. 109, 2814 (1999).
16. R. B. Williams and R. F. Loring, J. Chem. Phys. 110, 10899 (1999).
17. S. Sastry, H. E. Stanley, and F. Sciortino, J. Chem. Phys. 100, 5361 (1993).
18. T. Kalbfleisch and T. Keyes, J. Chem. Phys. 108, 7375 (1998).
19. R. Kubo, in Fluctuation, Relaxation and Resonance in Magnetic Systems, edited by D. T. Haar (Oliver and Boyd, Edinburgh and London, 1961).
20. S.-B. Zhu, S. Singh, and G. W. Robinson, Water in Biology, Chemistry and Physics (World Scientific. New Jersey, 1996), see the refrences within.
21. J. E. Bertie and H. H. Eysel, Appl. Spectrosc. 39, 392 (1985).
22. J. E. Bertie and Z. Lan, Appl. Spectrosc. 50, 1047 (1996).
23. P. Madden and R. W. Impey, Chem. Phys. Lett. 123, 502 (1986).
24. A. Wallqvist and O. Teleman, Mol. Phys. 74, 515 (1991).
25. P. Ahlström, A. Wallqvist, S. Engström, and B. Jönssom, Mol. Phys. 68, 563 (1989).
26. B. D. Bursulaya and H. J. Kim, J. Chem. Phys. 109, 4911 (1998).
27. M. Cho et al., J. Chem. Phys. 100, 6672 (1994).
28. J. S. Bader and B. J. Berne, J. Chem. Phys. 100, 8359 (1994).
29. A. Wallqvist and B. J. Berne, Chem. Phys. Lett. 117, 214 (1985).
30. J. E. Bertie, the spectroscopic data is available in a convenient format at www.ualberta.ca/ jbertie/jebhome.htm
31. K. Toukan and A. Rahman, Phys. Rev. B 31, 2643 (1985).
32. M. Souaille and J. C. Smith, Mol. Phys. 87, 1333 (1996).
33. J. Borysow, M. Moraldi, and L. Frommhold, Mol. Phys. 56, 913 (1985).
34. B. J. Berne, J. Jortner, and R. Gordon, J. Chem. Phys. 47, 1600 (1967).
35. S. Egorov and B. J. Berne, J. Chem. Phys. 107, 6050 (1997).
36. P. Moore and M. Klein (unpublished).
37. M. Tuckerman, B. J. Berne, and G. J. Martyna, J. Chem. Phys. 97, 1990 (1992).
38. B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401 (1986).
39. K. A. Bode and J. Applequist, J. Phys. Chem. 100, 17820 (1996).
40. J. Applequist, J. R. Carl, and K.-K. Fung, J. Am. Chem. Soc. 94, 2952 (1972).
41. J. Applequist and C. O. Quicksall, J. Chem. Phys. 66, 3455 (1977).
42. D. A. McQuarrie, Statistical Mechanics (Harper and Row, New York, 1976).
43. B. Guillot, J. Chem. Phys. 95, 1543 (1991).
44. B. Space, H. Rabitz, and A. Askar, J. Chem. Phys. 99, 9070 (1993).
45. L. Schulman, Techniques and Applications of Path Integration (Wiley, New York, 1981).
46. D. Chandler and P. Wolynes, J. Chem. Phys. 74, 4078 (1981).
47. K. S. Schweizer, R. M. Strati, D. Chandler, and P. Wolynes. J. Chem. Phys. 75, 1347 (1981).
48. D. Thirumalai, R. W. Hall, and B. J. Berne, J. Chem. Phys. 81, 2523 (1984).
49. M. Herman, E. Bruskin, and B. J. Berne, J. Chem. Phys. 76, 5150 (1982).
50. W. Dittrich and M. Reuter, Classical and Quantum Dynamics: From Classical Paths to Path Integrals (Springer, New York, 1996).
51. G. Voth, Adv. Chem. Phys. 93, 135 (1996).
52. C. Chakravarty and R. Ramaswamy, J. Chem. Phys. 106, 5564 (1997).
53. S. Corcelli and J. Doll, Chem. Phys. Lett. 263, 671 (1996).
54. R. E. Larsen and R. M. Stratt. J. Chem. Phys. 110, 1036 (1999).
55. P. Moore, H. Ahlborn, and B. Space (unpublished).
56. G. Herzberg, Infrared and Raman Spectra of Polyatomic Molecules (Van Nostrand, New York, 1946), p. 171.