Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential

Chemical Physics Letters

Volumn 415, Issue 4-6, 2005, Pages 302-307

  James, Tim ^a   Wales, David J ^a   Hernández Rojas, Javier ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSIDAD DE LA LAGUNA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; WATER;

ENERGY GAPS; GLOBAL MINIMA; STRUCTURAL TRENDS; WATER CLUSTERS;

MOLECULAR PHYSICS;

EID: 27644485121     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.09.019     Document Type: Article

References (35)

1. J.C. Grossman, E. Schwegler, E.W. Draeger, F. Gygi, and G. Galli J. Chem. Phys. 120 2004 300
2. F.N. Keutsch, and R.J. Saykally Proc. Natl. Acad. Sci. USA 98 2001 10533
3. F.H. Stillinger, and T.A. Weber Science 225 1984 983
4. K.S. Kim, M. Dupuis, G.C. Lie, and E. Clementi Chem. Phys. Lett. 131 1986 451
5. R.J. Wawak, M.M. Wimmer, and H.A. Scheraga J. Phys. Chem. 96 1992 5138
6. C. Tsoo, and C.L. Brooks III J. Chem. Phys. 101 1994 6405
7. C. Lee, H. Chen, and G. Fitzgerald J. Chem. Phys. 102 1995 1266
8. J.A. Niesse, and H.R. Mayne J. Comp. Chem. 18 1997 1233
9. D.J. Wales, and M.P. Hodges Chem. Phys. Lett. 286 1998 65
10. H. Kabrede, and R. Hentschke J. Phys. Chem. B 107 2003 3914
11. B. Hartke Phys. Chem. Chem. Phys. 5 2003 275
12. J.K. Kazimirski, and V. Buch J. Phys. Chem. A 107 2003 9762
13. D.J. Wales, and J.P.K. Doye J. Phys. Chem. A 101 1997 5111
14. Y. Xiang, H. Jiang, W. Cai, and X. Shao J. Phys. Chem. A 108 2004 3586
15. M.W. Mahoney, and W.L. Jorgensen J. Chem. Phys. 112 2000 8910
16. W.L. Jorgensen, J. Chandrasekhar, and J.D. Madura J. Chem. Phys. 79 1983 926
17. M. Lísal, J. Kolafa, and I. Nezbeda J. Chem. Phys. 112 2002 8892
18. S.W. Rick J. Chem. Phys. 120 2004 6085
19. M. Lísal, I. Nezbeda, and W.R. Smith J. Phys. Chem. B 108 2004 7412
20. D.J. Wales Phil. Trans. R. Soc. A 363 2005 357
21. D.J. Wales, and I. Ohmine J. Chem. Phys. 98 1993 7245
22. D.J. Wales, and I. Ohmine J. Chem. Phys. 98 1993 7257
23. T. James, and D.J. Wales J. Chem. Phys. 122 2005 134306
24. J.-L. Kuo, and M.L. Klein J. Chem. Phys. 122 2005 024516
25. B.J. Mhin, J. Kim, S. Lee, J.Y. Lee, and K.S. Kim J. Chem. Phys. 100 1994 4484
26. C.J. Tsai, and K.D. Jordan J. Chem. Phys. 95 1991 3850
27. C.J. Tsai, and K.D. Jordan J. Phys. Chem. 97 1993 5208
28. D.D. Frantz J. Chem. Phys. 115 2001 6136
29. J. Slovák, and H. Tanaka J. Chem. Phys. 122 2005 204512
30. C. Vega, C. McBride, E. Sanz, and J.L.F. Abascal Phys. Chem. Chem. Phys. 7 2005 1450
31. F.H. Stillinger, and A. Rahman J. Chem. Phys. 60 1974 1545
32. S.S. Xantheas, C.J. Burnham, and R.J. Harrison J. Chem. Phys. 116 2002 1493
33. S.S. Xantheas, and E. Aprà J. Chem. Phys. 120 2004 823
34. G.S. Fanourgakis, E. Aprà, and S.S. Xantheas J. Chem. Phys. 121 2004 2655
35. K. Liu, M.G. Brown, C. Carter, R.J. Saykally, J.K. Gregory, and D.C. Clary Nature 381 1996 501