Titlebook: Implications of Molecular and Materials Structure for New Technologies; Judith A. K. Howard,Frank H. Allen,Gregory P. Shie Book 1999 Sprin

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A New , Powder Method and Profile Refinement in Materials Design: Application to Polymer Electrolytn the area of polymer electrolytes, powder diffraction methods have been vital. Our interest in such methods has led us to develop a particularly powerful approach to . structure determination from powder diffraction data, which combines simulated annealing with chemical constraints and full profile fitting.

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Book 1999ery wide range of novel materials. Theseactivities now encompass a broad chemical spectrum, reflected in thecontributions published here, which cover: modern crystallographictechniques, databases and knowledge bases of experimental results,computational techniques and their interplay with experiment

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Atomic Displacement Parameters, Vibrational Spectra and Thermodynamic Functions for Crystals: A Strs, or (more frequently) to a set of reference axes of unit length coinciding in direction with the reciprocal axes. There are also more complex formulations, involving higher terms in the cumulant expansion, leading to higher-rank tensors (see, for instance, Johnson [22-24]).

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