Crystal structure determination from powder diffraction data by the application of a genetic algorithm

Zeitschrift fur Kristallographie - New Crystal Structures

Volumn 212, Issue 8, 1997, Pages 550-552

  Shankland, K ^a   David, W I F ^a   Csoka, T ^a  

^a RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84889413107     PISSN: 14337266     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.1997.212.8.550     Document Type: Article

References (9)

1. Rietveld, H. M.: A profile refinement method for nuclear and magnetic structures. J. Appl. Crystallogr. 2 (1969) 65-71.
2. Harris, K. D. M.; Tremayne, M.: Crystal structure determination from powder diffraction data. Chem. Mater. 8 (1996) 2554-2570.
3. Andreev, Y. G.; Lightfoot, P.; Bruce, P. G.: Structure of the polymer electrolyte poly(ethylene oxide)3: LiN(SO2CF3) determined by powder diffraction using a powerful Monte Carlo approach. J. Chem. Soc. Chem. Commun. (1996) 2169-2170.
4. Leach, A. R.: Molecular Modelling. Addison-Wesley Longman 1996.
5. Holland, J. H.: Adaptation in Natural and Artificial Systems. University of Michigan Press, Ann Arbor 1975.
6. Knight, K. S.; Shankland, K; David, W. I. F.; Shankland, N.; Love, S. W.: The crystal structure of perdeuterated pyrene II at 4.2 K. Chem. Phys. Lett. 258 (1996) 490-494.
7. Shankland, K; David, W. I. F.; Sivia, D. S.: Routine ab initio structure determination of chlorothiazide by X-ray powder diffraction using optimised data collection and analysis strategies. J. Mater. Chem. 7 (1997) 569-572.
8. Shankland, N.; Florence, A. J.; Cox, P. J.; Sheen, D. B.; Love, S. W.; Stewart, N. S.; Wilson, C. C.: Crystal morphology of ibuprofen predicted from single-crystal pulsed neutron diffraction data. J. Chem. Soc. Chem. Commun. (1996) 855-856.
9. David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.: Rutherford Appleton Laboratory Report RAL-92-032, 1992.