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Updated: Sep 21, 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

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Atenolol-imprinted polymer: a DFT study

Pollyanna P Maia1, Lilian C Zin1, Camilla F Silva1

  • 1LQTC: Laboratório de Química Teórica E Computacional, Departamento de Ciências Naturais (DCNAT), Universidade Federal de São João Del-Rei (UFSJ), Campus Dom Bosco, Praça Dom Helvécio 74São João Del Rei, Fábricas, MG, 36301-160, Brazil.

Journal of Molecular Modeling
|June 2, 2022
PubMed

Keywords:
AtenololMolecularly imprinted polymerRational designTheoretical calculations

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