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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

Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity

Ninad V Prabhu1, Peijuan Zhu, Kim A Sharp

  • 1Johnson Research Foundation and Department of Biochemistry and Biophysics, University of Pennsylvania, 37th and Hamilton Walk, Philadelphia, Pennsylvania 19104, USA.

Journal of Computational Chemistry
|October 14, 2004
PubMed

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