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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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Charge Transfer Interaction between Ab Initio and Effective Fragment Potential Molecules

Megan R Schlinsog1, Mark S Gordon1

  • 1Department of Chemistry and Ames National Laboratory, Iowa State University, Ames, Iowa50011, United States.

Journal of Chemical Theory and Computation
|July 6, 2026
PubMed

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