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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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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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An Insight into nd10 Metal Cyanide-based Coordination Polymers Through ab-initio Calculations: Electronic Properties

Rodrigo Mojica1, Ana E Torres2, Yosuan Avila1

  • 1Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada - Unidad Legaria, Instituto Politécnico Nacional, Legaria 694, M., Hidalgo, 11500, México City, México.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|December 12, 2022
PubMed

Keywords:
cyanide-based coordination polymersdensity functional theoryelectronic structurend10 metal cyanidesoptical response

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