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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

Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities

Myung Won Lee1, Massimo Mella, Andrew M Rappe

  • 1The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, 19104-6323, USA.

The Journal of Chemical Physics
|July 23, 2005
PubMed

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