International Tables for Crystallography
| Reverse Monte Carlo and molecular-dynamics approaches to EXAFS analysis International Tables for Crystallography (2024). Vol. I [ doi:10.1107/S157487072200550X ] Abstract The reverse Monte Carlo and molecular-dynamics methods for the analysis of extended X-ray absorption fine-structure (EXAFS) data are reviewed. These methods allow one to obtain a three-dimensional structural model of a material from the EXAFS spectrum, taking into account the effects of thermal and static disorder. The advantages and limitations of these methods are discussed, and some examples of their applications to various materials are presented. |
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About International Tables for Crystallography
International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.