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Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating

Tommaso Giovannini1, Laura Grazioli2, Matteo Ambrosetti2

  • 1Department of Chemistry , Norwegian University of Science and Technology , Trondheim 7491 , Norway.

Journal of Chemical Theory and Computation
|August 23, 2019
PubMed

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