One hundred years of diffuse scattering

A 3D-ΔPDF real structure study of PbTe

(2015) Thomas Weber et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Crystallography beyond the Bragg Peaks

(2014) Thomas Weber   CHIMIA

Orientation dependence of electrical properties of large-sized sodium potassium niobate lead-free single crystals

(2014) Hao Deng et al.   CRYSTENGCOMM

Interactions and phase transformations in Fe-Pd

(2014) C. R. Sax et al.   PHYSICAL REVIEW B

Multiple Soft-Mode Vibrations of Lead Zirconate

(2014) J. Hlinka et al.   PHYSICAL REVIEW LETTERS

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

(2014) Michael E. Wall et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Diffuse X-Ray Scattering to Model Protein Motions

(2014) Michael E. Wall et al.   STRUCTURE

Phonon localization drives polar nanoregions in a relaxor ferroelectric

(2014) M.E. Manley et al.   Nature Communications

Diffuse scattering and partial disorder in complex structures

(2014) T. R. Welberry et al.   IUCrJ

Yell: a computer program for diffuse scattering analysisviathree-dimensional delta pair distribution function refinement

(2014) A. Simonov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Experimental uncertainties of three-dimensional pair distribution function investigations exemplified on the diffuse scattering from a tris-tert-butyl-1,3,5-benzene tricarboxamide single crystal

(2014) Arkadiy Simonov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Analyzing diffuse scattering with supercomputers

(2013) T. M. Michels-Clark et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

PDFgetX3: a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions

(2013) P. Juhás et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Success and failure of dead-time models as applied to hybrid pixel detectors in high-flux applications

(2013) B. A. Sobott et al.   JOURNAL OF SYNCHROTRON RADIATION

Visualizing networks of mobility in proteins

(2013) Mark A. Wilson   NATURE METHODS

Automated identification of functional dynamic contact networks from X-ray crystallography

(2013) Henry van den Bedem et al.   NATURE METHODS

Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs

(2012) E. J. Chan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Phonons, phasons and atomic dynamics in quasicrystals

(2012) Marc de Boissieu   CHEMICAL SOCIETY REVIEWS

Improved count rate corrections for highest data quality with PILATUS detectors

(2012) P. Trueb et al.   JOURNAL OF SYNCHROTRON RADIATION

The three-dimensional pair distribution function analysis of disordered single crystals: basic concepts

(2012) Thomas Weber et al.   ZEITSCHRIFT FUR KRISTALLOGRAPHIE

Modelling dynamics in protein crystal structures by ensemble refinement

(2012) B Tom Burnley et al.   eLife

Diffuse scattering resulting from macromolecular frustration

(2011) T. R. Welberry et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Optimal fine ϕ-slicing for single-photon-counting pixel detectors

(2011) Marcus Mueller et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Confined linear molecules inside an aperiodic supramolecular crystal: The sequence of superspace phases in n-hexadecane/urea

(2011) M. Huard et al.   JOURNAL OF CHEMICAL PHYSICS

Applications of pair distribution function methods to contemporary problems in materials chemistry

(2011) Callum A. Young et al.   JOURNAL OF MATERIALS CHEMISTRY

First-principles based atomistic modeling of phase stability in PMN–xPT

(2011) M Sepliarsky et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

High-resolution x-ray diffraction study of single crystals of lead zirconate titanate

(2011) S. Gorfman et al.   PHYSICAL REVIEW B

Precursor effects of the orthorhombic to monoclinic phase transition in benzocaine form (II) revealed by X-ray diffuse scattering

(2010) E. J. Chan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Diffuse scattering study of aspirin forms (I) and (II)

(2010) E. J. Chan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Evaluating Elastic Network Models of Crystalline Biological Molecules with Temperature Factors, Correlated Motions, and Diffuse X-Ray Scattering

(2010) Demian Riccardi et al.   BIOPHYSICAL JOURNAL

Nanoporous Structure and Medium-Range Order in Synthetic Amorphous Calcium Carbonate

(2010) Andrew L. Goodwin et al.   CHEMISTRY OF MATERIALS

Characterization of Medipix3 With Synchrotron Radiation

(2010) Eva N. Gimenez et al.   IEEE TRANSACTIONS ON NUCLEAR SCIENCE

A refinement strategy for Monte Carlo modelling of diffuse scattering from molecular crystal systems

(2010) E. J. Chan et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Analysis and modelling of structural disorder by the use of the three-dimensional pair distribution function method exemplified by the disordered twofold superstructure of decagonal Al–Cu–Co

(2010) Philippe Schaub et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

X-ray diffuse scattering from threading dislocations in epitaxial GaN layers

(2010) M. Barchuk et al.   JOURNAL OF APPLIED PHYSICS

One dimensional ordering of doping oxygen in HgBa2Cuo4+δ superconductors evidenced by X-ray diffuse scattering

(2010) M. Izquierdo et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Monte Carlo and Molecular Dynamics Simulation of Disorder in the Ag+ Fast Ion Conductors Pearceite and Polybasite

(2010) T.R. Welberry et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Monte Carlo Modeling of Diffuse Scattering from Single Crystals: The Program ZMC

(2010) D. J. Goossens et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Origin of diffuse scattering in relaxor ferroelectrics

(2010) P. Ganesh et al.   PHYSICAL REVIEW B

Optically isotropic and monoclinic ferroelectric phases inPb(Zr1−xTix)O3(PZT) single crystals near morphotropic phase boundary

(2010) Alexei A. Bokov et al.   PHYSICAL REVIEW B

Diffuse scattering and local structure modeling in ferroelectrics

(2010) Marek Pasciak et al.   ZEITSCHRIFT FUR KRISTALLOGRAPHIE

On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)

(2009) Eric J. Chan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Single-crystal diffuse scattering studies on polymorphs of molecular crystals. I. The room-temperature polymorphs of the drug benzocaine

(2009) E. J. Chan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Revealing How Interactions Lead to Ordering inPara-Terphenyl

(2009) D. J. Goossens et al.   PHYSICAL REVIEW LETTERS

On the Relationship between Diffraction Patterns and Motions in Macromolecular Crystals

(2009) Peter B. Moore   STRUCTURE

X-ray diffuse scattering from HMTA: analysisviaa Monte Carlo model

(2008) D. J. Goossens et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

A room-temperature X-ray diffuse scattering study of form (II) of the trimorphic molecular systemp-(N-methylbenzylidene)-p-methylaniline

(2008) A. G. Beasley et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Origin of diffuse scattering appearing in iron-doped Ti-Ni shape memory alloys

(2008) T. Yamamoto et al.   European Physical Journal-Special Topics

Reciprocal-space imaging of a real quasicrystal. A feasibility study with PILATUS 6M

(2008) Thomas Weber et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Different models for the polar nanodomain structure of PZN and other relaxor ferroelectrics

(2008) T. R. Welberry et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Local structure in Ag3[Co(CN)6]: colossal thermal expansion, rigid unit modes and argentophilic interactions

(2008) Michael J Conterio et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

XPAD3-S: A fast hybrid pixel readout chip for X-ray synchrotron facilities

(2008) Patrick Pangaud et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT

Static atomic displacements inCu̱-Mnmeasured with diffuse x-ray scattering

(2008) B. Schönfeld et al.   PHYSICAL REVIEW B