Bicanonical Monte Carlo simulation of the structural properties of Cl -(H2O)N clusters using entropy data based model

Journal of Molecular Structure: THEOCHEM

Volumn 725, Issue 1-3, 2005, Pages 191-206

  Lukyanov, S I ^a   Zidi, Z S ^b   Shevkunov, S V ^c  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b Gabes Preparatory Institute of Engineers Studies   (Tunisia)

^c PETER THE GREAT ST PETERSBURG POLYTECHNIC UNIVERSITY   (Russian Federation)

Author keywords

Cl water clusters; Entropy; Free energy; Microstructure; Stratosphere

Indexed keywords

EID: 21944451169     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.01.044     Document Type: Article

References (62)

1. F.H. Stillinger, and A. Rahman J. Chem. Phys. 60 1974 1545
2. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, and J. Hermans B. Pullman Intermolecular Forces 1981 Reidel 331
3. S. Solomon, R.R. Garcia, F.S. Rowland, and D.J. Wuebbles Nature 755 1986 321
4. J. Lelieveld, and P.J. Crutzen Nature 343 1990 227
5. J.G. Dash, H. Fu, and J.S. Wettlaufer Rep. Prog. Phys. 58 1995 115
6. C.R. Slaughterbeck, E.W. Kukes, B. Pittenger, D.J. Cook, P.C. Williams, V.L. Eden, and S.C. Fain J. Vac. Sci. Technol. A 14 1996 1213
7. B. Pittenger, D.J. Cook, C.R. Slaughterbeck, and S.C. Fain J. Vac. Sci. Technol. A 16 1998 1832
8. A. Doeppenschmidt, M. Kappl, and H.J. Butt J. Phys. Chem. B 102 1998 7813
9. H. Bluhm, and M. Salmeron J. Chem. Phys. 111 1999 6947
10. P.B. Miranda, L. Xu, Y.R. Shen, and M. Salmeron Phys. Rev. Lett. 81 1998 5876
11. V.F. Petrenko J. Phys. Chem. B 101 1997 6276
12. V.F. Petrenko, and I.A. Ryzhkin J. Phys. Chem. B 101 1997 6285
13. B.J. Gertner, and J.T. Hynes Faraday Discuss. 110 1998 301
14. R. Bianco, and J.T. Hynes J. Phys. Chem. A 102 1998 309
15. K. Ando, and J.T. Hynes J. Phys. Chem. B 101 1997 10464
16. B.J. Gertner, and J.T. Hynes Science 271 1996 1563
17. D.R. Haynes, N.J. Tro, and S.M. George J. Phys. Chem. 96 1992 8502
18. D.C. Clary, and L. Wang J. Chem. Soc. Faraday Trans. 93 1997 2763
19. M.J. Packer, and D.C. Clary J. Phys. Chem. 99 1995 14323
20. J.P.D. Abbatt, K.D. Beyer, A.F. Fucaloro, J.R. McMahon, P.J. Wooldridge, R. Zhang, and M.J. Molina J. Geophys. Res. 97 1992 15819
21. S.V. Shevkunov, S.I. Lukyanov, J.-M. Leyssale, C. Millot, Chem. Phys 310 (2005) 97.
22. H.J.C. Berendsen, J.R. Grigeria, and T.P. Straatsma J. Phys. Chem. 91 1987 6269
23. H.E. Alper, and R.M. Levy J. Chem. Phys. 91 1989 1242
24. I.M. Svishchev, and P.G. Kusalik J. Chem. Phys. 99 1993 3049
25. L.A. Baez, and P. Clancy J. Chem. Phys. 103 1995 9744
26. A.A. Chialvo J. Chem. Phys. 104 1996 5240
27. F.H. Stillinger, and A. Rahman J. Chem. Phys. 61 1974 4973
28. K. Hiroaka, S. Mizuse, and S. Yamade J. Phys. Chem. 92 1988 3943
29. M. Arshadi, R. Yamdagni, and R. Kebarle J. Phys. Chem. 74 1970 1475
30. S.V. Shevkunov, A.A. Martsinovski, and P.N. Vorontsov-Velyaminov Teplofizika Vysokih Temperatur 26 1988 246 (in Russian)
31. S.V. Shevkunov, A.A. Martsinovski, and P.N. Vorontsov-Velyaminov Mol. Simulation 5 1990 119
32. S.V. Shevkunov J. Exp. Theor. Phys. (JETP Am. Inst. Phys.) 78 1994 677 (translation)
33. S.V. Shevkunov, and J. Russian J. Electrochem (Interperiodica Publishing) 32 1996 867 (translation)
34. S.V. Shevkunov Doklady Akademii Nauk 356 1997 652 (in Russian)
35. S.V. Shevkunov Doklady Akademii Nauk 363 1998 215 (in Russian)
36. S.V. Shevkunov Elektrohimija 34 1998 860 (in Russian)
37. S.V. Shevkunov Elektrohimija 34 1998 869 (in Russian)
38. S.V. Shevkunov Kolloidnyi Zhurnal 60 1998 111 (in Russian)
39. S.V. Shevkunov Kolloidnyi Zhurnal 61 1999 275 (in Russian)
40. S.V. Shevkunov Himija vysokih energii 33 1999 325 (in Russian)
41. S.V. Shevkunov, and A. Vegiri J. Chem. Phys. 111 1999 9303
42. S.V. Shevkunov, and A. Vegiri Mol. Phys. 98 2000 149
43. N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, and H.A. Teller J. Chem. Phys. 21 1953 1087
44. L.X. Dang, and D.E. Smith J. Chem. Phys. 99 1993 6950
45. A.A. Radtsig Handbook on Atom and Molecular Physics 1980 Atomizdat Moscow
46. S. Himika Chemist's Handbook Chemistry Literature vol. 1 1962 Leningrad Moscow (in Russian)
47. P. Bopp, G. Jancso, and K. Heinzinger Chem. Phys. Lett. 98 1983 129
48. T. Driesner, and P.T. Cummings J. Chem. Phys. 111 1999 5141
49. A.A. Chialvo, and P.T. Cummings J. Chem. Phys. 110 1999 1064
50. A.K. Das, and B.L. Tembe J. Chem. Phys. 111 1999 7526
51. L. Degreve, and F.L.B. da Silva J. Chem. Phys. 110 1999 3070
52. P.H.K. De Jong, G.W. Neilson, and M.C. Bellisent-Funel J. Chem. Phys. 105 1996 5155
53. P.H.K. De Jong, and G.W. Neilson J. Phys. Condens. Matter. 8 1996 9275
54. T. Yamaguchi, M. Yamagami, H. Ohzono, H. Wakita, and K. Yamanaka Chem. Phys. Lett. 252 1996 317
55. R.W. Impey, and M.L. Klein J. Chem. Phys. 79 1983 926
56. K. Watanabe, and M.L. Klein Chem. Phys. 131 1989 157
57. H.E. Alper, and R.M. Levy J. Chem. Phys. 91 1989 1242
58. M.W. Mahoney, and W.L. Jorgensen J. Chem. Phys. 112 2000 8910
59. P.A. Kollman, and Ch.F. Bender Chem. Phys. Lett. 21 1973 271
60. K. Heinzinger, and P.C. Vogel Z. Naturforsch 31a 1976 463
61. G. Jancso, K. Heinzinger, and P. Bopp Z. Naturforsch 40a 1985 1235
62. S.B. Zhu, and G.W. Robinson Chem. Phys. 97 1992 4336