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Updated: Oct 4, 2025

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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A Method for the Variational Calculation of Hyperfine-Resolved Rovibronic Spectra of Diatomic Molecules

Qianwei Qu1, Sergei N Yurchenko1, Jonathan Tennyson1

  • 1Department of Physics and Astronomy, University College London, WC1E 6BT London, U.K.

Journal of Chemical Theory and Computation
|February 11, 2022
PubMed

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