Research Data Supporting: Uncovering the Connection Between Low-Frequency Dynamics and Phase-Transformation Phenomena in Molecular Solids
Repository URI
Repository DOI
Change log
Authors
Ruggiero, MT
Zhang, Wei
Mittleman, Daniel
Zeitler, J
Description
Experimental and simulated structural data (powder x-ray diffraction and crystallographic information file (CIF) data), experimental and simulated terahertz spectra, and molecular displacements.
Version
Software / Usage instructions
Mercury for CIFs.
Keywords
terahertz, vibrations, DFT, Molecular Dynamics, Disordered solids
Publisher
Sponsorship
EPSRC (1198)