Titlebook: Uniting Electron Crystallography and Powder Diffraction; Ute Kolb,Kenneth Shankland,William I.F David Conference proceedings 2012 Springer

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PAD416

Organic Compounds optimisation methods and highly-modified direct methods have transformed this situation by specifically exploiting some well-known properties of molecular compounds. This chapter will consider some of these properties.

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Structure Solution: Global Optimisation Methodseal space offer a powerful alternative method of structure solution that circumvents the map interpretation stage by directly maximising the agreement between calculated and observed diffraction intensities.

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粗糙

Debye Analysisniform deformation, are the prime examples of compounds that provide a considerable challenge for diffraction studies. Application of the fundamental diffraction equation of Debye provides a means of establishing the arrangement of atoms with any degree of structural disorder.

EWER

Powder Diffraction: By Decades of powder diffraction experiments and material systems that can be studied. The chapter concludes with a final discussion of decades – the four decades of length-scale from the ångstrom to the micron that not only represent the domain of powder diffraction but are also the distances that will dominate twenty-first century science and technology.

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雪崩

IDEAS

Structure Solution by Charge Flippingasic algorithm is necessary. For the structure solution from powder diffraction the histogram matching technique proved to be a powerful method to improve the quality of the solutions and use the algorithm to solve quite complex structures.