Read e-book online Advanced x-ray crystallography PDF

By Angelo Gavezzotti (auth.), Kari Rissanen (eds.)

ISBN-10: 3642274064

ISBN-13: 9783642274060

ISBN-10: 3642274072

ISBN-13: 9783642274077

Computational experiences of Crystal constitution and Bonding, by way of Angelo Gavezzotti Cryo-Crystallography: Diffraction at Low Temperature and extra, through Piero Macchi High-Pressure Crystallography, by way of Malcolm I. McMahon Chemical X-Ray Photodiffraction: ideas, Examples, and views, by way of Panče Naumov Powder Diffraction Crystallography of Molecular Solids, by means of Kenneth D. M. Harris

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Extra info for Advanced x-ray crystallography

Sample text

3 Other Techniques . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 Cryo-Crystallographic Studies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 Crystal Structure Solution and Refinement . . . . . . . . . . . . . . . . . . . . . . 2 Accurate Electron Density . . . . . . . . . . .

2 Powder Diffraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 Other Techniques . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 Cryo-Crystallographic Studies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 Crystal Structure Solution and Refinement . . . . . . . . . . . . . . . . . . . . . .

This is already possible, although with great limitations, as described in Sect. 6. , an algorithm that describes what happens when an ensemble of molecules is prepared in a given thermodynamic state, specified by position of – and forces on – all atoms or molecules at a given temperature and pressure. The system may stay at equilibrium in the provided state or may evolve by breaking some bonds or by changing its state of aggregation at a microscopic or macroscopic level. The discussion will be limited here to processes that are relevant to crystal chemistry, reaction-less processes where molecules may change position or conformation but not chemical connectivity: solid–liquid equilibria, crystal phase changes and polymorphism, glass transitions, or nucleation from solution and crystal growth.

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Advanced x-ray crystallography by Angelo Gavezzotti (auth.), Kari Rissanen (eds.)


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