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Efficient Prediction of Mole Fraction Related Vibrational Frequency Shifts

Jan Blasius1, Katrin Drysch1, Frank Hendrik Pilz2

  • 1Mulliken Center for Theoretical Chemistry, Clausius Institute of Physical and Theoretical Chemistry, University of Bonn, Beringstraße 4-6, D-53115 Bonn, Germany.

The Journal of Physical Chemistry Letters
|November 16, 2023
PubMed

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