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Daniel Gaissmaier

4 results in Authors: Daniel Gaissmaier

Theoretical and Computational Chemistry

First-principles studies on the atomistic properties of metallic magnesium as anode material in magnesium-based batteries

Florian Fiesinger, Daniel Gaissmaier, Matthias van den Borg, Timo Jacob

161

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Theoretical and Computational Chemistry

KVIK Optimiser - An Enhanced ReaxFF Force Field Training Approach

Daniel Gaissmaier, Matthias van den Borg, Donato Fantauzzi, Timo Jacob

552

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1

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Inorganic Chemistry

Multifunctional Polyoxometalate-Platforms for Supramolecular Light-driven Hydrogen Evolution

Salam Maloul, Matthias van den Borg, Carolin Müller, Linda Zedler, Alexander Mengele, Daniel Gaissmaier, Timo Jacob, Sven Rau, Benjamin Dietzek-Ivansic, Carsten Streb

308

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Theoretical and Computational Chemistry

Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries

Florian Fiesinger, Daniel Gaissmaier, Matthias van den Borg, Julian Bessner, Adri C. T. van Duin, Timo Jacob

143

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