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Updated: Jun 17, 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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Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and

Brendan M Shumberger1, T Daniel Crawford1

  • 1Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.

Journal of Chemical Theory and Computation
|August 13, 2024
PubMed

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