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The Journal of Physical Chemistry Letters|July 30, 2016
Anharmonic Theoretical Vibrational Spectroscopy of PolypeptidesPaweł T Panek, Christoph R JacobThe Journal of Chemical Physics|May 2, 2016
On the benefits of localized modes in anharmonic vibrational calculations for small moleculesPaweł T Panek, Christoph R JacobChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 1, 2014
Efficient calculation of anharmonic vibrational spectra of large molecules with localized modesPaweł T Panek, Christoph R JacobThe Journal of Chemical Physics|February 10, 2019
On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in vibrational configuration interactionPaweł T Panek, Adrian A Hoeske, Christoph R JacobPageof 1