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• W2482198501 endingPage "52" @default.
• W2482198501 startingPage "35" @default.
• W2482198501 abstract "Abstract In most cases, simulations of disordered materials are performed to understand experimental observations, in this case diffraction data. This chapter discusses the calculation of several experimental quantities: single crystal diffuse scattering, powder diffraction, and the atomic pair distribution function (PDF). Since diffraction data are obtained via a Fourier transform, the finite size of the model crystal as well as issues concerning coherence are discussed in detail. The PDF is basically calculated from the atomic structure directly. Different ways to incorporate thermal motion are illustrated." @default.
• W2482198501 created "2016-08-23" @default.
• W2482198501 creator A5007411081 @default.
• W2482198501 creator A5073026110 @default.
• W2482198501 date "2008-07-31" @default.
• W2482198501 modified "2023-10-15" @default.
• W2482198501 title "4 Simulating experimental data" @default.
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• W2482198501 doi "https://doi.org/10.1093/acprof:oso/9780199233694.003.0004" @default.
• W2482198501 hasPublicationYear "2008" @default.
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