Nonideal effects on the excess volume from small to large cavities in TIP4P water

Journal of Physical Chemistry B

Volumn 108, Issue 41, 2004, Pages 16244-16249

  Floris, Franca Maria ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTER SIMULATION; HYDRATION; HYDROPHOBICITY; MATHEMATICAL MODELS; MONTE CARLO METHODS; SOLVENTS; WATER;

HYDRATION SHELL MODELS; KIRKWOOD-BUFF INTEGRALS; PARTIAL MOLAR VOLUMES; SOLVATION;

CAVITATION;

EID: 7044260907     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047961a     Document Type: Article

References (45)

1. Millero, F. J. Chem. Rev. 1971, 71, 1971.
2. Millero, F. J.; Surdo, A. L.; Shin, C. J. Phys. Chem. 1978, 82, 784.
3. Cabani, S.; Gianni, P.; Mollica, V.; Lepori, L. J. Solution Chem. 1981, 10, 563.
4. Yasuda, Y.; Tochio, N.; Sakurai, M.; Nitta, K. J. Chem. Eng. Data 1998, 43, 205.
5. Matteoli, E., Mansoori, G. A., Eds. Advances in Thermodynamics Fluctuation Theory of Mixtures; Taylor &Francis: New York, 1990; Vol. 2.
6. Matteoli, E. J. Phys. Chem. B 1997, 101, 9800.
7. Kirkwood, J.; Buff, F. J. Chem. Phys. 1951, 19, 774-777.
8. Newman, K. E. Chem. Soc. Rev. 1994, 23, 31.
9. Ben-Naim, A. Statistical Thermodynamics for Chemists and Biochemists; Plenum: New York, 1992.
10. Kusalik, P. G.; Patey, G. N. J. Chem. Phys. 1988, 89, 5843.
11. Lazaridis, T. J. Phys. Chem. B 1998, 102, 3542.
12. Imai, T.; Kinoshita, M.; Hirata, F. J. Chem. Phys. 2000, 112, 9469.
13. Pratt, L.; Pohorille, A. A. Proc. EBSA Workshop on Water-Biomolecular Interactions 1992, 43, 261.
14. Paulatis, M. E.; Ashbaugh, H. S.; Garde, S. Biophys. Chem. 1994, 51, 349.
15. Matubayasi, N.; Levy, R. M. J. Phys. Chem. B 1996, 100, 2681.
16. Lin, C. L.; Wood, R. H. J. Phys. Chem. 1996, 100, 16399.
17. Chitra, R.; Smith, P. E. J. Chem. Phys. 2001, 114, 426.
18. Lockwood, D. M.; Rossky, P. J. J. Phys. Chem. 1999, 103, 1982.
19. Matubayasi, N.; Gallicchio, E.; Levy, R. M. J. Chem. Phys. 1998, 109, 4864.
20. Reiss, H.; Frish, H.; Lebowitz, J. J. Chem. Phys. 1959, 31, 369.
21. Pierotti, A. Chem. Rev. 1976, 76, 717.
22. Boublik, T. J. Chem. Phys. 1970, 53, 471.
23. Mansoori, G. A.; Carnhan, N. F.; Starling, K. E.; Leland, T. W. J. Chem. Phys. 1971, 54, 1523.
24. Floris, F.; Selmi, M.; Tani, A.; Tomasi, J. J. Chem. Phys. 1997, 107, 6353.
25. de Souza, L. E. S.; Ben-Amotz, D. J. Chem. Phys. 1994, 101, 9858.
26. Amovilli, C.; Barone, V.; Cammi, R.; Cancès, E.; Cossi, M.; Mennucei, B.; Pomelli, C. S.; Tomasi, J. Adv. Quantum Chem. 1999, 32, 227.
27. Amovilli, C.; Floris, F. M. Phys. Chem. Chem. Phys. 2003, 5, 363.
28. Nasehzadeh, A.; Azizi, K. THEOCHEM 2003, 638, 197.
29. Jorgensen, W.; Chandrasekhar, J.; Madura, J.; Impey, R.; Klein, M. J. Chem. Phys. 1983, 79, 926.
30. Hill, T. Statistical Mechanics; Dover Publications: New York, 1956.
31. Lebowitz, J. L.; Percus, J. K. Phys. Rev. 1961, 122, 1675.
32. Lazaridis, T. J. Phys. Chem. B 1998, 102, 3531.
33. Beutler, T. C.; Mark, A. E.; van Schaik, R. C.; Gerber, P. R.; van Gunsteren, W. F. Chem. Phys. Lett. 1994, 222, 529.
34. Zacharias, M.; Straatsma, T. P.; McCammon, J. J. Chem. Phys. 1994, 100, 9025.
35. Weerasinghe, S.; Pettitt, B. M. Mol. Phys. 1994, 82, 897.
36. Shulgin, I.; Ruckenstein, E. J. Phys. Chem. B 1999, 103, 4900.
37. Jorgensen, W. BOSS, version 3.5; Yale University Press: New Haven, CT, 1994.
38. Ben-Amotz, D. J. Phys. Chem. 1993, 97, 2314.
39. Frank, H. S.; Evans, M. W. J. Chem. Phys. 1945, 13, 507.
40. Matsumoto, M.; Kataoka, Y. J. Chem. Phys. 1988, 58, 3233.
41. Huang, D.; Chandler, D. J. Phys. Chem. B 2002, 106, 2047-2053.
42. Mahoney, M. W.; Jorgensen, W. L. J. Chem. Phys. 2000, 112, 8910.
43. Kell, G. J. Chem. Eng. Data 1975, 20, 97.
44. Jorgensen, W.; Jensen, C. J. Comput. Chem. 1998, 19, 1179.
45. Jorgensen, W.; Madura, J. Mol. Phys. 1985, 56, 1381.