Published in
Wiley, Journal of Computational Chemistry, 25(39), p. 2067-2078, 2018
DOI: 10.1002/jcc.25390
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A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function
Journal article published in 2018 by
V. S. Sandeep Inakollu,
Haibo Yu 
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