Simulated low frequency vibrational normal modes for the alpha and gamma polymorphic forms of indomethacin.
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Description
`.xyz' files containing frames of each normal mode that can be loaded into a software package such as VMD or JMol to visualise each vibrational mode calculated for this manuscript.
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Software / Usage instructions
Open in VMD or JMol or other suitable program
Keywords
terahertz, THz, spectroscopy, vibrational mode, CRYSTAL, CP2K, vibrational spectroscopy, indomethacin, organic molecular crystal, lattice dynamics, low frequency
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EPSRC (1198)