Development and assessment of an improved powder-diffraction-based method for molecular crystal structure similarity
R. Alex Mayo, Alberto Otero‐de‐la‐Roza, Erin R. Johnson
Abstract
The improved variable-cell powder difference (VC-PWDF) method provides a valuable addition to the toolbox of quantitative methods for crystal structure comparison.
Topics & Concepts
ToolboxSimilarity (geometry)Powder diffractionMaterials scienceCrystal structureCrystallographyCrystal (programming language)DiffractionStructural similarityChemistryComputer sciencePhysicsOpticsArtificial intelligenceProgramming languageImage (mathematics)Crystallography and molecular interactionsX-ray Diffraction in CrystallographyChemical Thermodynamics and Molecular Structure