Solving crystal structures of molecular solids without single crystals: A simulated annealing approach

Journal of the Chemical Society - Dalton Transactions

Volumn , Issue 24, 1998, Pages 4071-4080

  Andreev, Yuri G ^a   Bruce, Peter G ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749086907     PISSN: 03009246     EISSN: None     Source Type: Journal    
DOI: 10.1039/a805437a     Document Type: Review

References (32)

1. A, Altomare, M. C. Burla, M. Camalli, G. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, G. Polidori and R. Rizzi, Mater. Sci. Forum, 1998, 278, 284.
2. M. J. Buerger, Vector space, Wiley, New York, 1959, pp. 167-168.
3. K. D. M. Harris and M. Tremayne, Chem. Mater., 1996, 8, 2554.
4. H. M. Rietveld, J. Appl. Crystallogr., 1969, 2, 65.
5. S. Kirkpatrick, C. D. Gelatt and M. P. Vecchi, Science, 1983, 220, 671.
6. J. H. Holland, Adaptation in Natural and Artificial Systems, The University of Michigan Press, Ann Arbor, 1975.
7. B. M. Kariuki, H. Serrano-Gonzalez, R. L. Johnston and K. D. M. Harris, Chem. Phys. Lett., 1997, 280, 189.
8. L. Ingber and B. Rosen, Math. Comput. Modell., 1992, 16, 87.
9. J. M. Newsam, M. W. Deem and C. M. Freeman, Accuracy in Powder Diffraction II, NIST Special Publication No. 846, 1992, pp. 80-91.
10. K. D. M. Harris, M. Tremayne, P. Lightfoot and P. G. Bruce, J. Am. Chem. Soc., 1994, 116, 3543.
11. K. Shankland, W. I. F. David, T. Csoka and L. McBride, Int. J. Pharm., 1998, 165, 117.
12. Y. G. Andreev, P. Lightfoot and P. G. Bruce, J. Appl. Crystallogr., 1997, 30, 294.
13. International Tables for Crystallography, Kluwer Academic Publishers, Dordrecht, Boston, London, 1995, vol. C, pp. 594-608.
14. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller and E. Teller, J. Chem. Phys., 1953, 21, 1087.
15. W. H. Press, S. A. Teukolsky, W. T. Vetterling and B. P. Flannery, Numerical Recipes in C: the Art of Scientific Computing, Cambridge University Press, 1992, pp. 451-455.
16. W. I. F. David, K. Shankland and N. Shankland, Chem. Commun., 1998, 931.
17. G. S. Pawley, J. Appl. Crystallogr., 1981, 14, 357.
18. A. Le Bail, H. Duroy and J. L. Fourquet, Mater. Res. Bull., 1988, 23, 447.
19. C. Baerlocher, in The Rietveld Method, IUCr Monographs on Crystallography 5, ed. R. A. Young, Oxford University Press, 1993, pp. 186-196.
20. S. Arnott and A. J. Wonacott, Polymer, 1966, 7, 157.
21. International Tables for X-ray Crystallography, Kynoch Press, Birmingham (Present distributor Kluwer Academic Publishers, Dordrecht), 1959, vol. 2, pp. 62-63.
22. Y. G. Andreev, T. Lundström and N. I. Sorokin, Nucl. Instrum. Methods Phys. Res., Sect. A, 1995, 354, 134.
23. Y. G. Andreev, G. S. MacGlashan and P. G. Bruce, Phys. Rev. B, 1997, 55, 12011.
24. A. C. Larson and R. B. Von Dreele, Los Alamos National Laboratory Report Number LA-UR-86-748, 1987.
25. M. P. Gupta and B. P. Dutta, Cryst. Struct. Commun., 1975, 4, 37.
26. Y. Chatani and S. Okamura, Polymer, 1987, 28, 1815.
27. P. Lightfoot, M. A. Mehta and P. G. Bruce, Science, 1993, 262, 883.
28. P. Lightfoot, J. L. Nowinski and P. G. Bruce, J. Am. Chem. Soc., 1994, 116, 7469.
29. M. Yokoyama, H. Ishihara, R. Iwamoto and H. Tadokoro, Macromolecules, 1990, 2, 184.
30. Y. Chatani, Y, Fujii, T. Takayanagi and A. Honma, Polymer, 1990, 31, 2238.
31. Y. G. Andreev, P. Lightfoot and P. G. Bruce, Chem. Commun., 1996, 2169.
32. K. Shankland, W. I. F. David and T. Csoka, Z. Kristallogr., 1997, 220, 550.