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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

Amide I vibrational frequencies of alpha-helical peptides based upon ONIOM and density functional theory (DFT)

Robert Wieczorek1, J J Dannenberg

  • 1Department of Chemistry, City University of New York-Hunter College and the Graduate School, 695 Park Avenue, New York, New York 10065, USA.

The Journal of Physical Chemistry. B
|January 9, 2008
PubMed

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