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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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Extended Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Charge-Transfer State

Minseok Oh1, Nakhyun Kim1, YounJoon Jung1

  • 1Department of Chemistry, Seoul National University, Seoul 08826, South Korea.

Journal of Chemical Theory and Computation
|June 9, 2026
PubMed

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