Sandeep's paper on DFTB3 vibrational spectroscopy accepted by JCC!
Sandeep’s paper on DFTB3 vibrational spectroscopy calculations has been accepted by Journal of Computationl Chemistry. (1)
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A Systematic Benchmarking of Computational Vibrational Spectroscopy with DFTB3: Normal Mode Analysis and Fast Fourier Transform Dipole Autocorrelation Function
Inakollu, V. S. Sandeep and Yu, Haibo
J Comput Chem 39 (25) :2067–2078, 2018