Nonconvergence of the solute potential in an infinite solvent and its implications in continuum models

Journal of Physical Chemistry B

Volumn 106, Issue 47, 2002, Pages 12093-12096

  Yang, Pei Kun ^a   Lim, Carmay ^b,c  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^b INSTITUTE OF BIOMEDICAL SCIENCES   (Taiwan)

^c NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; MATHEMATICAL MODELS; PERMITTIVITY; SOLVENTS;

ELECTROSTATIC POTENTIAL;

MOLECULAR PHYSICS;

EID: 0037191871     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025909d     Document Type: Article

References (21)

1. Hummer, G.; Pratt, L.R.; Garcia, A.E.; Berne, B.J.; Rick, S.W. J. Phys. Chem. B 1997, 101, 3017-3020.
2. Ashbaugh, H.S.; Wood, R.H. J. Chem. Phys. 1997, 106, 8135-8139.
3. Darden, T.; Pearlman, D.; Pedersen, L.G. J. Chem. Phys. 1998, 109, 10921-10935.
4. Aqvist, J.; Hansson, T. J. Phys. Chem. B 1998, 102, 3837-3840.
5. Born, M.Z. Phys. 1920, 1, 45-48.
6. King, G.; Warshel, A. J. Chem. Phys. 1989, 91, 3647.
7. Aqvist, J. J. Phys. Chem. 1990, 94, 8021-8024.
8. Warshel, A.; Papazyan, A. Curr. Opin. Struct. Biol. 1998, 8, 211-217.
9. Kirkwood, J.G. J. Chem. Phys. 1934, 2, 351-361.
10. Warwicker, J.; Watson, H.C. J. Mol. Biol. 1982, 157, 671.
11. Gilson, M., K.; Honig, B.H. J. Comput. Chem. 1988, 9, 327-335.
12. Ashbaugh, H.S.; Sakane, S.; Wood, R.H. J. Phys. Chem. B 1998, 102, 3844-3845.
13. Rick, S.W.; Berne, B.J. J. Am. Chem. Soc. 1994, 116, 3949-3954.
14. Aqvist, J.; Hansson, T. J. Phys. Chem. 1996, 100, 9512-9521.
15. Chan, S.L.; Lim, C. J. Phys. Chem. 1994, 98, 692-695.
16. Hyun, J.-K.; Babu, C.S.; Ichiye, T. J. Phys. Chem. 1995, 99, 5187-5195.
17. Rainville, E. Infinite series; The Macmillan Co.: New York, 1967.
18. Jackson, J.D. Classical Electrodynamics; John Wiley & Sons: New York, 1962.
19. Jorgensen, W.L.; Chandrasekhar, J.; Madura, J.D.; Impey, R.W.; Klein, M.L. J. Chem. Phys. 1983, 79, 926-923.
20. Aqvist, J. J. Phys. Chem. 1994, 98, 8253.
21. Yang, P.-K.; Liaw, S.-H.; Lim, C. J. Phys. Chem. B 2002, 106, 2973-2982.