A simulation study of the optical Kerr effect in liquid water

Physical Chemistry Chemical Physics

Volumn 7, Issue 6, 2005, Pages 1176-1180

  Sonoda, Milton T ^a   Vechi, Sérgio M ^a   Skaf, Munir S ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; DIMETHYL SULFOXIDE; FORMAMIDE; N METHYLFORMAMIDE; WATER;

AB INITIO CALCULATION; ANISOTROPY; ARTICLE; COMPUTER SIMULATION; DIFFUSION; DIPOLE; FOURIER TRANSFORMATION; HYDROGEN BOND; LIGHT SCATTERING; LIQUID; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; OPTICAL KERR EFFECT SPECTROSCOPY; POLARIZATION; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY; SOLVENT EFFECT;

ANISOTROPY; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; DIFFUSION; MODELS, STATISTICAL; MODELS, THEORETICAL; SPECTROPHOTOMETRY; WATER;

EID: 16244391782     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b417147k     Document Type: Article

References (68)

1. Over the years, there have appeared numerous excellent reviews on water and aqueous systems. Refs. 2-5 serve as a starting point to the literature. The reader may also see the recent Special Issues: Chem. Phys., 258 (2000) and Braz. J. Phys., 34 (2004).
2. Over the years, there have appeared numerous excellent reviews on water and aqueous systems. Refs. 2-5 serve as a starting point to the literature. The reader may also see the recent Special Issues: Chem. Phys., 258 (2000) and Braz. J. Phys., 34 (2004).
3. (a) F. H. Stillinger, Adv. Chem. Phys., 1975, 31, 1;
4. (b) F. H. Stillinger, Science, 1980, 209, 451.
5. P. J. Rossky, Annu. Rev. Phys. Chem., 1985, 36, 321.
6. I. Ohmine and H. Tanaka, Chem. Rev., 1993, 7, 2545.
7. B. M. Ladanyi and M. S. Skaf, Annu. Rev. Phys. Chem., 1993, 44, 335.
8. J. Jonas, T. DeFries and D. J. Wilbur, J. Chem. Phys., 1981, 65, 581.
9. U. Kaatze and V. Uhlendorf, Z. Phys. Chem., Neue Folge, 1981, 126, 151.
10. (a) M. N. Afsar and J. B. Hasted, J. Opt. Soc. Am., 1977, 67, 902;
11. (b) J. B. Hasted, S. K. Husain, F. A. M. Frescura and J. R. Birch, Chem. Phys. Lett., 1985, 118, 622;
12. (c) A. N. Rusk, D. Williams and M. R. Querry, J. Opt. Soc. Am., 1971, 61, 895.
13. (a) A. de Santis, M. Sampoli, V. Mazzacurati and M. A. Ricci, Chem. Phys. Lett., 1987, 133, 381;
14. (b) A. de Santis, R. Frattini, M. Sampoli, V. Mazzacurati, M. Nardone, M. A. Ricci and G. Ruocco, Mol. Phys., 1987, 61, 1199;
15. (c) K. Mizoguchi, Y. Hori and Y. Tominaga, J. Chem. Phys., 1992, 97, 1961.
16. C. J. Montrose, J. A. Bucaro, J. Marshall-Coakley and T. A. Litowitz, J. Chem. Phys., 1974, 60, 5025.
17. (a) A. K. Soper and A. Luzar, J. Phys. Chem., 1996, 100, 1357;
18. (b) A. K. Soper and A. Luzar, J. Chem. Phys., 1992, 97, 1320.
19. (a) J. E. Bertie and Z. Lan, Appl. Spectrosc., 1996, 50, 1047;
20. (b) J. T. Kindt and C. A. Schmuttenmaer, J. Phys. Chem., 1996, 100, 10373.
21. M. Berg and D. A. Vanden Bout, Acc. Chem. Res., 1997, 30, 65.
22. (a) D. McMorrow, W. T. Lotshaw and G. Kenney-Wallace, IEEE J. Quantum Electron., 1988, QE-24, 443;
23. (b) S. J. Rosenthal, N. F. Scherer, M. Cho, X. Xie, M. E. Schmidt and G. R. Fleming, in Ultrafast Phenomena, ed. J.-L. Martin, A. Migus, G. A. Mourou and A. H. Zewail, Springer, Berlin, 1993;
24. (c) R. Righini, Science, 1993, 262, 1386.
25. (a) S. Palese, L. Schilling, R. J. D. Miller, P. R. Staver and W. T. Lotshaw, J. Phys. Chem., 1994, 98, 6308;
26. (b) E. W. Castner, Jr, Y. J. Chang, Y. C. Chu and G. E. Walrafen, J. Chem. Phys., 1995, 102, 653;
27. (c) K. Winkler, J. Lindner, H. Bürsing and P. Vöhringer, J. Chem. Phys., 2000, 113, 4674;
28. (d) C. J. Fecko, J. D. Eaves and A. Tokmakoff, J. Chem. Phys., 2002, 117, 1139.
29. (a) S. Saito and I. Ohmine, J. Chem.Phys., 1997, 106, 4889;
30. (b) I. Ohmine and S. Saito, Acc. Chem. Res., 1999, 32, 741.
31. B. D. Bursulaya and H. J. Kim, J. Chem. Phys., 1998, 109, 4911.
32. A. Perry, H. Ahlborn, B. Space and P. B. Moore, J. Chem. Phys., 2003, 118, 8411.
33. M. A. Ricci, G. Ruocco and M. Sampoli, Mol. Phys., 1989, 67, 19.
34. M. S. Skaf and S. M. Vechi, J. Chem. Phys., 2003, 119, 2181.
35. H. Torii, Chem. Phys. Lett., 2003, 353, 431.
36. B. J. Berne and R. Pecora, Dynamic Light Scattering, Dover, Mineola, 2000.
37. S. Mukamel, Principles of Nonlinear Optical Spectroscopy, Oxford University Press, New York, 1999.
38. (a) L. C. Geiger and B. M. Ladanyi, J. Chem. Phys., 1987, 87, 191;
39. (b) L. C. Geiger and B. M. Ladanyi, Chem. Phys. Lett., 1989, 159, 413;
40. B. M. Ladanyi, Chem. Phys. Lett., 1985, 121, 351;
41. P. A. Madden, in Ultrafast Phenomena, ed. D. H. Auston and K. B. Eisenthal, Springer, Berlin, 1985, vol. IV, p. 244;
42. (e) T. L. C. Jansen, J. G. Snijders and K. Duppen, J. Chem. Phys., 2001, 114, 10910;
43. (f) K. Kiyohara, K. Kamada and K. Ohta, J. Chem. Phys., 2000, 112, 6338;
44. (g) H. Stassen, Th. Dorfmüller and B. M. Ladanyi, J. Chem. Phys., 1994, 100, 6318;
45. (h) O. Faurskov Nielsen, Annu. Rep. Prog. Chem., Sect. C, 1993, 90, 3.
46. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.7), Gaussian, Inc., Pittsburgh, PA, 1998.
47. A. V. Gubskaya and P. G. Kusalik, Mol. Phys., 2001, 99, 1107.
48. (a) G. Maroulis, Chem. Phys. Lett., 1998, 289, 403;
49. (b) G. Maroulis, J. Chem. Phys., 2000, 113, 1813.
50. (a) J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, J. Chem. Phys., 2003, 119, 10519;
51. (b) J. Kongsted, A. Osted, K. V. Mikkelsen and O. Christiansen, J. Chem. Phys., 2004, 120, 3787.
52. H. J. C. Berendsen, J. R. Grigera and T. P. Straatsma, J. Phys. Chem., 1987, 91, 6269.
53. (a) S. W. de Leeuw, J. M. Perram and E. R. Smith, Annu. Rev. Phys. Chem., 1986, 37, 245;
54. (b) S. W. de Leeuw, J. M. Perram and E. R. Smith, Proc. R. Soc. London, Ser. A, 1980, 373, 27;
55. (c) S. W. de Leeuw, J. M. Perram and E. R. Smith, Proc. R. Soc. London, Ser. A, 1980, 373, 57.
56. J. P. Ryckaert, G. Ciccotti and H. J. C. Berendsen, J. Comput. Phys., 1977, 23, 327.
57. (a) M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon, Oxford, 1989;
58. (b) R. W. Hockney, Methods Comput. Phys., 1970, 9, 136.
59. P. P. Wiewior, H. Shirota and E. W. Castner Jr, J. Chem. Phys., 2002, 116, 4643.
60. R. Torre, P. Bartolini and R. Righini, Nature, 2004, 428, 296.
61. (a) D. M. F. Edwards and P. A. Madden, Mol. Phys., 1984, 51, 1163;
62. (b) M. S. Skaf, T. Fonseca and B. M. Ladanyi, J. Chem. Phvs., 1993, 98, 8929.
63. B. M. Ladanyi and Y. Q. Liang, J. Chem. Phys., 1995, 103, 6325.
64. M. Cho, M. Du, N. F. Scherer, G. R. Fleming and S. Mukamel, J. Chem. Phys., 1993, 99, 2410.
65. B. M. Ladanyi and S. Klein, J. Chem. Phys., 1996, 105, 1552.
66. Y. J. Chang and E. W. Castner Jr, J. Chem. Phys., 1993, 99, 7289.
67. B. D. Bursulaya and H. J. Kim, J. Phys. Chem. B, 1997, 101, 10994.
68. J. Borysow, M. Moraldi and L. Frommhold, Mol. Phys., 1985, 56, 913.