Irmgard Frank

5PUBLICATIONS
3CO-AUTHORS
Wastewater treatment processesTheoretical quantum chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Classical and physical opticsChemical and thermal processes in energy and combustion
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Publications (5)

|Oct 01, 2024
Electrochemical Oxidation of UV Filters: A First-Principles Molecular Dynamics Study.

Luis Álvarez, Irmgard Frank

|Sep 28, 2024
On the Simulation of Photoreactions Using Restricted Open-Shell Kohn-Sham Theory.

Ralf Büchel, Luis Álvarez, Jan Grage

|May 27, 2024
Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes.

Yasaman Dehhaghi, Ali Kiakojouri, Irmgard Frank

|Sep 28, 2023
Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster.

Irmgard Frank

|Feb 22, 2018
Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces.

Peter Kraus, Irmgard Frank

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Frequent Collaborators

1 joint publications

Peter Kraus

1 joint publications

Jan Grage

1 joint publications

Luis Álvarez