Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions

Physical Chemistry Chemical Physics

Volumn 5, Issue 12, 2003, Pages 2619-2624

  Urahata, Sérgio M ^a   Ribeiro, Mauro C C ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; LITHIUM DERIVATIVE; LITHIUM NITRATE; UNCLASSIFIED DRUG;

ARTICLE; DIFFUSION; DIFFUSION COEFFICIENT; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; POLARIZATION; SIMULATION;

EID: 0037804166     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b303713d     Document Type: Article

References (26)

1. M. J. L. Sangster and M. Dixon, Adv. Phys., 1976, 25, 247.
2. P. A. Madden and M. Wilson, Chem. Soc. Rev., 1996, 25, 339.
3. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Oxford University Press, Oxford, 1987.
4. M. C. C. Ribeiro, Phys. Rev. B, 2000, 61, 3297.
5. M. C. C. Ribeiro, Phys. Rev. B, 2001, 63, 94 205.
6. M. C. C. Ribeiro and L. C. J. Almeida, J. Chem. Phys., 2000, 113, 4722.
7. M. C. C. Ribeiro, J. Chem. Phys., 2002, 117, 266.
8. A. W. Rick, S. J. Stuart and B. J. Berne, J. Chem. Phys., 1994, 101, 6141.
9. A. K. Rappé and W. A. Goddard III, J. Phys. Chem., 1991, 95, 3358.
10. T. Kato, K. Machida, M. Oobatake and S. Hayashi, J. Chem. Phys., 1988, 89, 3211.
11. T. Kato, K. Machida, M. Oobatake and S. Hayashi, J. Chem. Phys., 1988, 89, 7471.
12. T. Kato, K. Machida, M. Oobatake and S. Hayashi, J. Chem. Phys., 1990, 92, 5506.
13. T. Kato, K. Machida, M. Oobatake and S. Hayashi, J. Chem. Phys., 1993, 99, 3966.
14. J. N. Louwen and E. T. C. Vogt, J. Mol. Catal. A, 1998, 134, 63: S. L. Njo, J. Fan and B. van de Graaf, J. Mol. Catal. A, 1998, 134, 79.
15. J. N. Louwen and E. T. C. Vogt, J. Mol. Catal. A, 1998, 134, 63: S. L. Njo, J. Fan and B. van de Graaf, J. Mol. Catal. A, 1998, 134, 79.
16. G. J. Janz, U. Krebs, H. F. Siegenthaler and R. P. T. Tomkins, J. Phys. Chem. Ref. Data, 1972, 1, 581.
17. T. Yamaguchi, I. Okada, H. Ohtaki, M. Mikami and K. Kawamura, Mol. Phys., 1986, 58, 349.
18. A. K. Adya, G. W. Neilson, I. Okada and S. Okazaki, Mol. Phys., 1327, 193, 79.
19. G. F. Signorini, J.-L. Barrat and M. L. Klein, J. Chem. Phys., 1990, 92, 1294.
20. A. S. Dworkin, R. B. Escue and E. R. Van Altsdalen, J. Phys. Chem., 1960, 64, 872.
21. K. R. Seddon, J. Chem. Technol. Biotechnol., 1997, 68, 351.
22. T. Welton, Chem. Rev., 1999, 99, 2071.
23. C. G. Hanke, S. L. Price and R. M. Lynden-Bell, Mol. Phys., 2001, 99, 801.
24. C. J. Margulis, H. A. Stern and B. J. Berne, J. Phys. Chem. B, 2002, 106, 12 017.
25. T. I. Morrow and E. J. Maginn, J. Phys. Chem. B, 2002, 106, 12 807.
26. J. Andrade, E. S. Böes and H. Stassen, J. Phys. Chem. B, 2002, 106, 13 344.