The ab initio neon-water potential-energy surface and its relationship with the hydrophobic hydration shell

Journal of the Chemical Society - Faraday Transactions

Volumn 94, Issue 17, 1998, Pages 2501-2504

  Bagno, Alessandro ^a  

^a UNIVERSITY OF PADOVA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748649664     PISSN: 09565000     EISSN: None     Source Type: Journal    
DOI: 10.1039/a804363i     Document Type: Article

References (59)

1. Water: A Comprehensive Treatise, ed. F. Franks, Plenum Press, New York, 1975.
2. W. Blokzijl and J. B. F. N. Engberts, Angew. Chem. Int. Ed. Engl., 1993, 32, 1545.
3. M. H. Abraham, J. Am. Chem. Soc., 1982, 104, 2085.
4. B. Lee and G. Graziano, J. Am. Chem. Soc., 1996, 22, 5163.
5. N. Muller, Acc. Chem. Res., 1990, 23, 23.
6. K. A. Sharp and B. Madan, J. Phys. Chem. B, 1997, 101, 4343.
7. N. A. M. Besseling and J. Lyklema, J. Phys. Chem. B, 1997, 101, 7604.
8. R. D. Broadbent and G. W. Neilson, J. Chem. Phys., 1994, 100, 7543.
9. J. L. Finney and A. K. Soper, Chem. Soc. Rev., 1994, 23, 1.
10. B. Prével, J. F. Jal, J. Dupuy-Philon and A. K. Soper, J. Chem. Phys., 1995, 103, 1886.
11. A. K. Soper and A. Luzar, J. Phys. Chem., 1996, 100, 1357.
12. P. H. K. De Jong, J. E. Wilson, G. W. Neilson and A. D. Buckingham, Mol. Phys., 1997, 91, 99.
13. H. Ohtaki, T. Radnai and T. Yamaguchi, Chem. Soc. Rev., 1997, 26, 41.
14. G. T. Fraser, F. J. Lovas, R. D. Suenram and K. Matsumura, J. Mol. Spectrosc., 1990, 144, 97.
15. R. C. Cohen and R. J. Saykally, J. Chem. Phys., 1993, 98, 6007.
16. E. Arunan, T. Emilsson and H. S. Gutowsky, J. Am. Chem. Soc., 1994, 116, 8418.
17. D. W. Urry, S. Peng, J. Xu and D. T. McPherson, J. Am. Chem. Soc., 1997, 119, 1161.
18. M. Suzuki, J. Shigematsu, Y. Fukunishi and T. Kodama, J. Phys. Chem. B, 1997, 101, 3839.
19. M. Holz, R. Haselmeier, R. Mazitov and H. Weingärtner, J. Am. Chem. Soc., 1994, 116, 801.
20. R. Haselmeier, M. Holz, W. Marbach and H. Weingärtner, J. Phys. Chem., 1995, 99, 2243.
21. H. Weingärtner, R. Haselmeier and M. Holz, J. Phys. Chem., 1996, 100, 1303.
22. M. Nakahara and Y. Yoshimoto, J. Phys. Chem., 1995, 99, 10698.
23. M. Nakahara, C. Wakai, Y. Yoshimoto and N. Matubayasi, J. Phys. Chem., 1996, 100, 1345.
24. J. C. Owicki and H. A. Scheraga, J. Am. Chem. Soc., 1977, 99, 7403.
25. J. C. Owicki, H. A. Scheraga, J. Am. Chem. Soc., 1977, 99, 7413.
26. S. Swaminathan, S. W. Harrison and D. L. Beveridge, J. Am. Chem. Soc., 1978, 100, 5705.
27. A. Geiger, A. Rahman and F. H. Stillinger, J. Chem. Phys., 1979, 70, 263.
28. C. Pangali, M. Rao and B. J. Berne, J. Chem. Phys., 1979, 71, 2982.
29. A. Geiger, Ber. Bunsen-Ges. Phys. Chem., 1981, 85, 52.
30. D. C. Rapaport and H. A. Scheraga, J. Phys. Chem., 1982, 86, 873.
31. A. Laaksonen and P. Stilbs, Mol. Phys., 1991, 74, 747.
32. B. Guillot, Y. Guissani and S. Bratos, J. Chem. Phys., 1991, 95, 3643.
33. H. Kovacs and A. Laaksonen, J. Am. Chem. Soc., 1991, 113, 5596.
34. L. X. Dang, J. E. Rice, J. Caldwell and P. A. Kollman, J. Am. Chem. Soc., 1991, 113, 2481.
35. K. Nakanishi, Chem. Soc, Rev., 1993, 22, 177.
36. C. Chipot, C. Millot, B. Maigret and P. A. Kollman, J. Phys. Chem., 1994, 98, 11362.
37. B. Guillot and Y. Guissani, J. Chem. Phys., 1993, 99, 8075.
38. R. L. Mancera and A. D. Buckingham, J. Phys. Chem., 1995, 99, 14632.
39. E. Hawlicka and D. Swiatla-Wojcik, Chem. Phys., 1995, 195, 221.
40. E. Meng and P. A. Kollman, J. Phys. Chem., 1996, 100, 11460.
41. P. B. Balbuena, K. P. Johnston and P. J. Rossky, J. Phys. Chem., 1996, 100, 2706.
42. M. Losonczy, J. W. Moskowitz and F. H. Stillinger, J. Chem. Phys., 1973, 59, 3264.
43. S. R. Ungemach and H. F. Schaefer III, J. Am. Chem. Soc., 1974, 96, 7898.
44. (a) S. Tsuzuki and K. Tanabe, J. Phys. Chem., 1991, 95, 2272;
45. (b) S. Tsuzuki, T. Uchimaru and K. Tanabe, J. Mol. Struct. (THEOCHEM), 1994, 307, 107;
46. (c) S. Tsuzuki, T. Uchimaru and K. Tanabe, J. Phys. Chem., 1994, 98, 1830.
47. G. Chalasinski, M. M. Szczesniak and S. Scheiner, J. Chem. Phys., 1991, 94, 2807.
48. M. Bulski, P. E. S. Wormer and A. van der Avoird, J. Chem. Phys., 1991, 94, 8096.
49. F-M. Tao and W. Klemperer, J. Chem. Phys., 1994, 101, 1129.
50. R. Burcl, G. Chalasinski, R. Bukowski and M. M. Szczesniak, J. Chem. Phys, 1995, 103, 1498.
51. G. Chalasinski and M. M. Szczesniak, Chem. Rev., 1994, 94, 1723.
52. Molecular Interactions, ed. S. Scheiner, Wiley-Interscience, New York, 1997.
53. J. Pitarch, V. Moliner, J-L. Pascual-Ahuir, E. Silla and I. Tunon, J. Phys. Chem., 1996, 100, 9955.
54. S. Tsuzuki, T. Uchimaru, M. Mikami and K. Tanabe, J. Phys. Chem. A, 1998, 102, 2091.
55. Gaussian 94, Revision C.2; M. J. Frisch, G. W. Trucks, H. B. Schlegel, P.M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
56. (a) F-M. Tao and Y-K. Pan, Chem. Phys. Lett., 1992, 194, 162;
57. (b) F.-M. Tao, J. Chem. Phys., 1993, 98, 3049.
58. F. B. van Duijneveldt, J. G. C. M. van Duijneveldt-van de Rijdt and J. H. van Lenthe, Chem. Rev., 1994, 94, 1873.
59. CRC Handbook of Chemistry and Physics, CRC Press, Boca Raton, 76th edn, 1995.