DASH: a program for crystal structure determination from powder diffraction data
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Jason C. Cole | Elna Pidcock | William I. F. David | Kenneth Shankland | Jacco van de Streek | E. Pidcock | J. V. D. Streek | J. Cole | K. Shankland | W. David | W. Motherwell | W. D. Samuel Motherwell | J. van de Streek | J. Streek | William I. F. David | Jason C. Cole
[1] A. Markvardsen,et al. A probabilistic approach to space-group determination from powder diffraction data. , 2001, Acta crystallographica. Section A, Foundations of crystallography.
[2] H. Rietveld. Line profiles of neutron powder-diffraction peaks for structure refinement , 1967 .
[3] Alan R. Kennedy,et al. Solving molecular crystal structures from laboratory X-ray powder diffraction data with DASH: the state of the art and challenges , 2005 .
[4] K. Shankland,et al. Molecular, crystallographic and algorithmic factors in structure determination from powder diffraction data by simulated annealing , 2002 .
[5] Ehl Emile Aarts,et al. Simulated annealing and Boltzmann machines , 2003 .
[6] K. Shankland,et al. The disordered structure of tetraferrocenyl-[3]-cumulene, (Fc)2C=C=C=C(Fc)2, by simulated annealing using synchrotron powder diffraction data , 2000 .
[7] S. Brückner,et al. Estimation of the background in powder diffraction patterns through a robust smoothing procedure , 2000 .
[8] W. David. On the equivalence of the Rietveld method and the correlated integrated intensities method in powder diffraction , 2004 .
[9] W. A. Dollase,et al. Correction of intensities for preferred orientation in powder diffractometry: application of the March model , 1986 .
[10] Jie Luo,et al. Retrieval of Crystallographically-Derived Molecular Geometry Information , 2004, J. Chem. Inf. Model..
[11] Emile H. L. Aarts,et al. Simulated annealing and Boltzmann machines - a stochastic approach to combinatorial optimization and neural computing , 1990, Wiley-Interscience series in discrete mathematics and optimization.
[12] Emile H. L. Aarts,et al. Simulated Annealing: Theory and Applications , 1987, Mathematics and Its Applications.
[13] D. S. Sivia,et al. Background estimation using a robust Bayesian analysis , 2001 .
[14] G. S. Pawley,et al. Unit-cell refinement from powder diffraction scans , 1981 .
[15] Robin Taylor,et al. Mercury: visualization and analysis of crystal structures , 2006 .
[16] K. Shankland,et al. Structure determination from powder diffraction data. , 2008, Acta crystallographica. Section A, Foundations of crystallography.
[17] K. Shankland,et al. Crystal Structure of the [(C5H4BMe2)2Fe]-4,4′-bipyridine Polymer from High Resolution X-Ray Powder Diffraction , 2000 .
[18] William I. F. David,et al. Crystal structure determination from powder diffraction data by the application of a genetic algorithm , 1997 .
[19] D. Louër,et al. Indexing of powder diffraction patterns for low-symmetry lattices by the successive dichotomy method , 1991 .