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Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field

Rahel Weiß1, Felix Zeller1, Tim Neudecker1,2,3

  • 1University of Bremen, Institute for Physical and Theoretical Chemistry, Leobener Straße 6, D-28359 Bremen, Germany.

The Journal of Chemical Physics
|February 22, 2024
PubMed

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