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Updated: Nov 2, 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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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

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Density functional study of trans,trans,trans-[Pt(N3)2(OH)2(Py)2] on molecular structure and vibrational spectroscopy

Meilin Mu1, Hongwei Gao1

  • 1School of Life Science, Ludong University, Yantai, Shandong 264025, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|June 11, 2021
PubMed

Keywords:
Basis setsDFTHOMO and LUMOIRVibration

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