Neutron Scattering Data Analysis 1990, Proceedings of the Conference on Neutron Scattering, 14-16 March 1990, Rutherford Appleton Laboratory, UKM. W. Johnson |
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Page 165
... radial distribution functions . Monte Carlo and Molecular Dynamics simulations based on an interatomic potential sometimes agree well with experiment ( though comparison is normally made with radial distribution functions rather than ...
... radial distribution functions . Monte Carlo and Molecular Dynamics simulations based on an interatomic potential sometimes agree well with experiment ( though comparison is normally made with radial distribution functions rather than ...
Page 175
... distributions for vitreous silica . Maximum bond lengths are defined by the first minima in the appropriate ... distribution functions . types of experimental data and to determine three partial radial Liquids and amorphous diffraction 175.
... distributions for vitreous silica . Maximum bond lengths are defined by the first minima in the appropriate ... distribution functions . types of experimental data and to determine three partial radial Liquids and amorphous diffraction 175.
Page 282
... distribution function , 168 , 180 , 195 partial radial distribution functions , 169 partial structure factors , 168 , 175 Patterson entropy , 95 Patterson function , 93 , 94 , 103 PAW , 71 peak searching , 150 phaseless Fourier problem ...
... distribution function , 168 , 180 , 195 partial radial distribution functions , 169 partial structure factors , 168 , 175 Patterson entropy , 95 Patterson function , 93 , 94 , 103 PAW , 71 peak searching , 150 phaseless Fourier problem ...
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Acta Cryst algorithm applications approach atoms Bayesian beam Bragg peaks calculated configuration constraints coordinates corresponding cost function cross-section crystallographic Data Anal data analysis data set defined determined diffraction data diffractometer distribution elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity interpolation inverse ISIS likelihood function magnetic structure Markov chain matrix MaxEnt Reconstruction Maximum Entropy McGreevy measured method molecular MoO3 neutron diffraction neutron scattering normalisation normalization obtained optimisation optimization problems parameters Patterson map performed Phys plot positive powder diffraction presented at Neutron prior probability procedure quasielastic refinement reflectivity data resolution function ROTAX Rutherford Appleton Laboratory sample scan Scatt scattering law shown simulated annealing single crystal solution spectra spectrometer spectrum statistical structure factor symmetry temperature time-of-flight truncation UNIRAS unit cell vanadium vector wavelength workspace