Efficient methods of X-ray diffraction pattern inversion

An innovative, computational approach to the problem of X-ray diffraction pattern inversion is presented. The technique approximates the electron density of the trial structures encountered during the structure-fitting part of the inversion process with the superposition of the gas-phase electron de...

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Bibliographic Details
Main Author: Ian Gregory Shuttleworth
Format: Article
Language:English
Published: Elsevier 2019-12-01
Series:Results in Physics
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379719323721