Extending the Reach of Powder Diffraction Modelling

<ul><li>Preface</li><li>Advanced Input Files & Parametric Quantitative Analysis Using Topas</li><li>Problem Solving with the TOPAS Macro Language: Corrections and Constraints in Simulated Annealing and Rietveld Refinement</li><li>Robust Refinement as Implemented in TOPAS</li><li>
<i>In Situ</i> Diffraction Studies: Thermal Decomposition of a Natural Plumbojarosite and the Development of Rietveld-Based Data Analysis Techniques</li><li>Molecular Motion by Refinement of TLS Matrices from High Resolution Laboratory Powder Diffraction Data: Implementation in the Program TOPAS and Application to Crystalline Naphthalene</li><li>Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction</li><li>Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature</li><li>"Powder 3D Parametric"- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas</li><li>MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS</li><li>Protein Powder Diffraction Analysis with TOPAS</li><li>Composition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling Procedures</li><li>WPPM: Microstructural Analysis beyond the Rietveld Method</li><li>WPPM: Advances in the Modeling of Dislocation Line Broadening</li><li>Domain Size Analysis in the Rietveld Method</li><li>The Application of the Fundamental Parameters Approach as Implemented in TOPAS to Divergent Beam Powder Diffraction Data</li></ul>