Global minimum structures of Morse clusters as a function of the range of the potential: 81 ≤ N ≤ 160

Journal of Physical Chemistry A

Volumn 111, Issue 24, 2007, Pages 5287-5293

  Cheng, Longjiu ^a   Yang, Jinlong ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; CONFORMATIONS; DATABASE SYSTEMS; PHASE DIAGRAMS;

CAMBRIDGE CLUSTER DATABASE; GLOBAL MINIMA; MORSE CLUSTERS;

MOLECULAR STRUCTURE;

EID: 34547264068     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072238g     Document Type: Article

References (34)

1. Northby, J. A. J. Chem. Phys. 1987, 87, 6166.
2. Xue, G. L. J. Global Optim. 1994, 4, 425.
3. Deaven, D. M.; Ho, K. M. Phys. Rev. Lett. 1995, 75, 228.
4. Wales, D. J.; Doye, J. P. K. J. Phys. Chem. A 1997, 101, 5111.
5. Romero, D.; Barrón, C.; Gómez, S. Comput. Phys. Commun. 1999, 123, 87.
6. Hartke, B. J. Comput. Chem 1999, 20, 1752.
7. Locatelli, M.; Schoen, F. Comput. Optim. Appl. 2002, 22, 175.
8. Johnston, R. L. J. Chem. Soc., Dalton Trans. 2003, 22, 4193.
9. Lee, J.; Lee, I. H.; Lee, J. Phys. Rev. Lett. 2003, 97, 080201.
10. Cheng, L. J.; Cai, W. S.; Shao, X. G. Chem. Phys. Lett. 2004, 389, 309.
11. Shao, X. G.; Cheng, L. J.; Cai, W. S. J. Comput. Chem. 2004, 25, 1693.
12. Takeuchi, H. J. Chem. Inf. Model. 2006, 46, 2066.
13. Baletto, F.; Ferrando, R. Rev. Mod. Phys. 2005, 77, 371.
14. Kroto, H. W.; Allaf, A. W.; Balm, S. P. Chem. Rev. 1991, 97, 1213.
15. James, T.; Wales, D. J.; Hernández-Rojas, J. Chem. Phys. Lett. 2005, 415, 302.
16. Wales, D. J.; Doye, J. P. K.; Dullweber, A.; Hodges, M. P.; Naumkin, F. Y.; Calvo, F.; Hernández-Rojas, J.; Middleton, T. F. The Cambridge Cluster Database (CCD), available from http://www-wales.ch.cam.ac.uk/CCD.html.
17. Li, J.; Li, X.; Zhai, H. J.; Wang, L. S. Science 2003, 299, 864.
18. Johansson, M. P.; Sundholm, D.; Vaara, J. Angew. Chem., Int. Ed. 2004, 43, 2678.
19. Noya, E. G.; Doye, J. P. K.; Wales, D. J.; Aguado, A. Eur. Phys. J. D (in press).
20. Doye, J. P. K.; Wales, D. J.; Branz, W.; Calvo, F. Phys Rev. B 2001, 64, 235409.
21. Cheng, L. J.; Cai, W. S.; Shao, X. G. Chem. Phys. Chem. 2005, 6, 261.
22. Morse, P. M. Phys. Rev. 1929, 34, 57.
23. Doye, J. P. K.; Wales, D. J.; Berry, R. S. J. Chem. Phys. 1995, 103, 4234.
24. Doye, J. P. K.; Wales, D. J. J. Chem. Soc., Faraday Trans. 1997, 93, 4233.
25. Cheng, L. J.; Cai, W. S.; Shao, X. G. Chem. Phys. Chem. 2007, 8, 569.
26. Rossi, G.; Rapallo, A.; Mottet, C.; Fortunelli, A.; Baletto, F.; Ferrando R. Phys. Rev. Lett. 2004, 93, 105503.
27. Doye, J. P. K.; Wales, D. J. Phys. Rev. Lett. 2001, 56, 5719.
28. Leary, R. H.; Doye, J. P. K. Phys. Rev. E 1999, 60, R6320.
29. Cheng, L. J.; Yang, J. L. J. Phys. Chem. A 2007, 111, 2336.
30. Roberts, C.; Johnston, R. L.; Wilson, N. T. Theor. Chem. Acc. 2000, 104, 123.
31. Doye, J. P. K.; Leary, R. H.; Locatelli, M.; Schoen, F. INFORMS J. Comput. 2004, 16, 371.
32. 0 for which they are probably the lowest energy minimum for 81 ≤ N ≤ 160 can be found in the Supporting Information. Alternatively, the table and the coordinates are available from the webpage: http://staff.ustc.edu.cn/~clj/morse/table.html.
33. Doye, J. P. K.; Wales, D. J. Chem. Phys. Lett. 1995, 247, 339.
34. Girifalco, L. A. J. Phys. Chem. 1992, 96, 858.