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Research Data Supporting: Uncovering the Connection Between Low-Frequency Dynamics and Phase-Transformation Phenomena in Molecular Solids


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Type

Dataset

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)
Relationships
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