Temperature dependence of the transport coefficients of ions from molecular dynamics simulations

Chemical Physics Letters

Volumn 408, Issue 1-3, 2005, Pages 84-88

  Baştuǧ, Turgut ^a   Kuyucak, Serdar ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRIC CONDUCTANCE; ELECTROLYTES; IONS; THERMAL EFFECTS;

COMPUTATIONAL POWER; FORCE FIELDS; TEMPERATURE VARIATIONS; TRANSPORT COEFFICIENTS;

MOLECULAR DYNAMICS;

EID: 18844403919     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.04.012     Document Type: Article

References (23)

1. H.S. Harned, and B.B. Owen The physical chemistry of electrolytic solutions 1958 Reinhold New York
2. R.A. Robinson, and R.H. Stokes Electrolyte solutions 1965 Butterworths London (and references quoted within)
3. M.P. Allen, and D.J. Tildesley Computer simulation of liquids 1987 Oxford University Press London
4. S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta, and P. Weiner J. Am. Chem. Soc. 106 1984 765
5. B.R. Brooks, R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, and M. Karplus J. Comput. Chem. 4 1983 187
6. J. Hermans, H.J.C. Berendsen, W.F. van Gunsteren, and J.P.M. Postma Biopolymers 23 1984 1513
7. A. Brodsky Chem. Phys. Lett. 261 1996 563
8. W.F. van Gunsteren, and A.E. Mark J. Chem. Phys. 108 1998 6109
9. S. Kuyucak, and S.H. Chung Biophys. Chem. 52 1994 15
10. B. Hille Ionic channels of excitable membranes third edn. 2001 Sinauer Association, Inc. Sunderland, MA p. 51
11. R. Reddy, and M. Berkowitz J. Chem. Phys. 88 1988 7104
12. A.V. Egorov J. Phys. Chem. B 107 2003 3234
13. S.H. Lee, and J.C. Rasaiah J. Phys. Chem. 100 1996 1420
14. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, and J.R. Haak J. Chem. Phys. 81 1984 3684
15. E. Lindahl, B. Hess, and D. van der Spoel J. Mol. Model. 7 2001 306
16. J.P. Hansen, and I.R. McDonald Theory of simple liquids 1986 Academic Press London
17. R. Mills J. Phys. Chem. 77 1973 685
18. M. Holz, S.R. Heil, and A. Sacco Phys. Chem. Chem. Phys. 2 2000 4740
19. I.C. Yeh, and G. Hummer J. Phys. Chem. B 108 2004 15873
20. S.W. Rick J. Chem. Phys. 114 2001 2276
21. P. Ren, and J.W. Ponder J. Phys. Chem. B 108 2004 13427
22. H. Yu, and W.F. van Gunsteren J. Chem. Phys. 121 2004 9549
23. P. Stilbs Prog. Nucl. Magn. Res. Spectrosc. 19 1987 1