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On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in

Paweł T Panek1, Adrian A Hoeske1, Christoph R Jacob1

  • 1Technische Universität Braunschweig, Institute of Physical and Theoretical Chemistry, Gaußstraße 17, 38106 Braunschweig, Germany.

The Journal of Chemical Physics
|February 10, 2019
PubMed

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