Hydrophobic interactions with coarse-grained model for water

Journal of Chemical Physics

Volumn 134, Issue 23, 2011, Pages

  Egorov, S A ^a  

^a UNIVERSITY OF VIRGINIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COARSE GRAINED MODELS; HYDROPHOBIC INTERACTIONS; HYDROPHOBIC SOLUTES; INTEGRAL-EQUATION THEORY; MODE COUPLING THEORY; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL OF MEAN FORCE; SELF-DIFFUSION COEFFICIENTS; SIMULATION DATA;

DIFFUSION; FULLERENES; INTEGRAL EQUATIONS; METHANE; MOLECULAR DYNAMICS;

HYDROPHOBICITY;

FULLERENE DERIVATIVE; METHANE; WATER;

ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; DIFFUSION; MOLECULAR DYNAMICS; THERMODYNAMICS;

DIFFUSION; FULLERENES; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; METHANE; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS; WATER;

EID: 79959721669     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3602217     Document Type: Article

References (45)

1. B. J. Berne, J. D. Weeks, and R. H. Zhou, Annu. Rev. Phys. Chem. 60, 85 (2009). 10.1146/annurev.physchem.58.032806.104445
2. L. R. Pratt, Annu. Rev. Phys. Chem. 53, 409 (2002). 10.1146/annurev. physchem.53.090401.093500
3. L. R. Pratt and D. Chandler, J. Chem. Phys. 67, 3683 (1977). 10.1063/1.435308
4. C. Y. Lee, J. A. McCammon, and P. J. Rossky, J. Chem. Phys. 80, 4448 (1984). 10.1063/1.447226
5. K. Watanabe and H. C. Andersen, J. Phys. Chem. 90, 795 (1986). 10.1021/j100277a019
6. D. E. Smith and A. D. J. Haymet, J. Chem. Phys. 98, 6445 (1993). 10.1063/1.464809
7. S. Ldemann, H. Schreiber, R. Abseher, and O. Steinhauser, J. Chem. Phys. 104, 286 (1996). 10.1063/1.470899
8. S. Ldemann, R. Abseher, H. Schreiber, and O. Steinhauser, J. Am. Chem. Soc. 119, 4206 (1997). 10.1021/ja953439d (Pubitemid 27239970)
9. S. Garde and H. S. Ashbaugh, J. Chem. Phys. 115, 977 (2001). 10.1063/1.1379576 (Pubitemid 32680637)
10. S. Shimizu and H. S. Chan, J. Chem. Phys. 115, 3424 (2001). 10.1063/1.1386420 (Pubitemid 32796783)
11. T. Ghosh, A. E. Garcia, and S. Garde, J. Chem. Phys. 116, 2480 (2002). 10.1063/1.1431582 (Pubitemid 34167985)
12. X. Huang, C. J. Margulis, and B. J. Berne, J. Phys. Chem. B 107, 11742 (2003). 10.1021/jp030652k
13. S. Rajamani, T. M. Truskett, and S. Garde, Proc. Natl. Acad. Sci. U.S.A. 102, 9457 (2005). 10.1073/pnas.0504089102 (Pubitemid 40981706)
14. N. Choudhury and B. M. Pettitt, J. Am. Chem. Soc. 127, 3556 (2005). 10.1021/ja0441817 (Pubitemid 40365294)
15. L. Li, D. Bedrov, and G. D. Smith, J. Chem. Phys. 123, 204504 (2005). 10.1063/1.2121647 (Pubitemid 41721286)
16. L. Li, D. Bedrov, and G. D. Smith, Phys. Rev. E 71, 011502 (2005). 10.1103/PhysRevE.71.011502 (Pubitemid 40619946)
17. J. J. Howard, J. S. Perkyns, N. Choudhury, and B. M. Pettitt, J. Chem. Theory Comput. 4, 1928 (2008). 10.1021/ct8002817
18. C. C. Chiu, P. B. Moore, W. Shinoda, and S. O. Nielsen, J. Chem. Phys. 131, 244706 (2009). 10.1063/1.3276915
19. R. Godawat, S. N. Jamadagni, and S. Garde, Proc. Natl. Acad. Sci. U.S.A. 106, 15119 (2009). 10.1073/pnas.0902778106
20. M. V. Athawale, S. N. Jamadagni, and S. Garde, J. Chem. Phys. 131, 115102 (2009). 10.1063/1.3227031
21. M. Makowski, C. Czaplewski, A. Liwo, and H. A. Scheraga, J. Phys. Chem. B 114, 993 (2010). 10.1021/jp907794h
22. P. Setny, R. Baron, and J. A. McCammon, J. Chem. Theory Comput. 6, 2866 (2010). 10.1021/ct1003077
23. A. Chaimovich and M. S. Shell, Phys. Chem. Chem. Phys. 11, 1901 (2009). 10.1039/b818512c
24. M. U. Hammer, T. H. Anderson, A. Chaimovich, M. S. Shell, and J. Israelachvili, Faraday Discuss. 146, 1 (2010). 10.1039/b926184b
25. A. B. de Oliveira, P. A. Netz, T. Colla, and M. C. Barbosa, J. Chem. Phys. 124, 084505 (2006). 10.1063/1.2168458
26. A. B. de Oliveira, P. A. Netz, T. Colla, and M. C. Barbosa, J. Chem. Phys. 125, 124503 (2006). 10.1063/1.2357119 (Pubitemid 44484209)
27. J. Mittal, J. R. Errington, and T. M. Truskett, J. Chem. Phys. 125, 076102 (2006). 10.1063/1.2336197 (Pubitemid 44267463)
28. S. A. Egorov, J. Chem. Phys. 128, 174503 (2008). 10.1063/1.2917359 (Pubitemid 351644896)
29. S. A. Egorov, J. Chem. Phys. 128, 144508 (2008). 10.1063/1.2898496 (Pubitemid 351537179)
30. S. A. Egorov, J. Chem. Phys. 129, 024514 (2008). 10.1063/1.2953332
31. A. A. Louis, J. Phys. Condens. Matter 14, 9187 (2002). 10.1088/0953-8984/14/40/311 (Pubitemid 35275047)
32. M. E. Johnson, T. Head-Gordon, and A. A. Louis, J. Chem. Phys. 126, 144509 (2007). 10.1063/1.2715953 (Pubitemid 46610010)
33. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids, 2nd ed. (Academic, London, 1986).
34. G. Zerah and J.-P. Hansen, J. Chem. Phys. 84, 2336 (1986). 10.1063/1.450397
35. W. G. Madden and S. A. Rice, J. Chem. Phys. 72, 4208 (1980). 10.1063/1.439651
36. E. Rabani and S. A. Egorov, J. Chem. Phys. 115, 3437 (2001). 10.1063/1.1395627 (Pubitemid 32795655)
37. E. Rabani and S. A. Egorov, Nano Lett. 2, 69 (2002). 10.1021/nl015645r (Pubitemid 135709134)
38. U. Balucani and M. Zoppi, Dynamics of the Liquid State (Clarendon, Oxford, 1994).
39. S. Bhattacharyya and B. Bagchi, J. Chem. Phys. 109, 7885 (1998). 10.1063/1.477435 (Pubitemid 128678360)
40. S. A. Egorov, J. Chem. Phys. 119, 4798 (2003). 10.1063/1.1596871
41. S. Bhattacharyya and B. Bagchi, J. Chem. Phys. 106, 1757 (1997). 10.1063/1.473316
42. S. W. Lovesey, J. Phys. C 4, 3057 (1971). 10.1088/0022-3719/4/18/011
43. R. Bansal and K. N. Pathak, Phys. Rev. A 15, 2519 (1977). 10.1103/PhysRevA.15.2519
44. L. A. Girifalco, M. Hodak, and R. S. Lee, Phys. Rev. B 62, 13104 (2000). 10.1103/PhysRevB.62.13104 (Pubitemid 32322426)
45. G. Colherinhas, T. L. Fonseca, and E. E. Fileti, Carbon 49, 187 (2011). 10.1016/j.carbon.2010.09.002