An investigation of two approaches to basin hopping minimization for atomic and molecular clusters

Chemical Physics Letters

Volumn 289, Issue 5-6, 1998, Pages 463-468

  White, Ronald P ^a   Mayne, Howard R ^a  

^a University of New Hampshire   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032546709     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00431-X     Document Type: Article

References (33)

1. Leach A.R. Rev. Comput. Chem. 2:1991;1.
2. H. Dodziuk, Modern Conformational Analysis, VCH, New York, 1995.
3. P. Comba, T.W. Hambley, Molecular Modeling, VCH, New York, 1995.
4. Brooks III C.L., Karplus M., Pettitt B.M. Adv. Chem. Phys. 71:1988;1.
5. Wales D.J., Doye J.P.K. J. Phys. Chem. A. 101:1997;5111.
6. Maranas C.D., Floudas C.A. J. Chem. Phys. 97:1992;7667.
7. Northby J.A. J. Chem. Phys. 87:1987;6166.
8. Kostrowicki J., Peila L., Cherayil B.J., Scheraga H.A. J. Phys. Chem. 95:1991;4113.
9. Sylvain M., Somorjai R.L. J. Phys. Chem. 95:1991;4147.
10. Amara P., Hsu D., Straub J.E. J. Phys. Chem. 97:1993;6715.
11. Finnila A.B., Gomez M.A., Sebenik C., Stenson C., Doll J.D. Chem. Phys. Lett. 219:1994;343.
12. Anderson J.B. J. Chem. Phys. 63:1975;1499.
13. Andricioaei I., Straub J.E. Comput. Phys. 10:1996;449.
14. Kirkpatrick S., Gelatt C.D., Vecchi M.P. Science. 220:1983;671.
15. Straub J.E., Ma J., Amara P. J. Chem. Phys. 103:1995;1574.
16. Frantz D.D., Freeman D.L., Doll J.D. J. Chem. Phys. 93:1990;2769.
17. Serra P., Stanton A.F., Kais S., Bleil R.E. J. Chem. Phys. 106:1997;7170.
18. Judson R. Rev. Comput. Chem. 10:1997;1.
19. Hartke B. J. Phys. Chem. 97:1993;9973.
20. Zeiri Y. Phys. Rev. E. 51:1995;R2769.
21. Deaven D.M., Ho K.M. Phys. Rev. Lett. 75:1995;288.
22. Gregurick S.K., Alexander M.H., Hartke B. J. Chem. Phys. 104:1996;2684.
23. Niesse J.A., Mayne H.R. J. Chem. Phys. 105:1996;4700.
24. Pullan W.J. J. Comput. Chem. 18:1997;1096.
25. White R.P., Niesse J.A., Mayne H.R. J. Chem. Phys. 108:1998;2208.
26. J.P.K. Doye, D.J. Wales, Phys. Rev. Lett. (in press).
27. Wales D.J., Doye J.P.K. Chem. Phys. Lett. 286:1998;65.
28. Li Z., Scheraga H.A. Proc. Natl. Acad. Sci. USA. 84:1987;6611.
29. Baysal C., Meirovitch H. J. Chem. Phys. 105:1996;7868.
30. Lee J., Scheraga H.A., Rackovsky S. J. Comput. Chem. 18:1997;1222.
31. M.H. Kalos, P.A. Whitlock, Monte Carlo Methods, Wiley, New York, 1986.
32. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes, 2nd ed., Cambridge University Press, New York, 1992.
33. D.J. Wales, J.P.K. Doye, personal communication.