Research Data Supporting: Intermolecular Anharmonicity in Molecular Crystals: Interplay Between Experimental Low-Frequency Dynamics and Quantum Quasi-Harmonic Simulations of Solid Purine
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Repository DOI
Change log
Authors
Ruggiero, MT
Zeitler, JA
Erba, A
Description
Variable temperature THz-TDS and low-frequency Raman data DFT-predicted low-frequency spectra Crystallographic information
Version
Software / Usage instructions
Mercury for crystallographic visualisation (CCDC)
Keywords
terahertz, DFT, anharmonicity, crystal
Publisher
Sponsorship
EPSRC (1198)