Data: Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge
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This data supplements our article "Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge" Jähnigen, S. et al. (2021). Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge, J. Phys. Chem. Lett., 12 (30), 7213-7220. Having presented a straightforward workflow for solid-state VCD that can be integrated into industrial drug design schemes, we provide a <em>Jupyter</em> notebook and the data files to generate IR and VCD spectra in solid-state using our python package <em>ChirPy</em>.
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Zenodo创建时间：
2021-05-20
