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Inorganic Chemistry

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Materials Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Christina Ertural

4 results in Authors: Christina Ertural

Materials Chemistry

The Orbital Origins of Chemical Bonding in Phase-Change Materials

Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski

Version 1 posted 29 October 2021

494

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Inorganic Chemistry

First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries involving Complex Nitrogen-based Anions

Christina Ertural, Ralf P. Stoffel, Peter Christian Müller, Christian Alexander Vogt, Richard Dronskowski

Version 1 posted 29 September 2021

453

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Theoretical and Computational Chemistry

First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries

Christina Ertural, Ralf Stoffel, Peter Christian Müller, Christian Alexander Vogt, Richard Dronskowski

Version 1 posted 26 July 2021

384

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Theoretical and Computational Chemistry

LOBSTER: Local Orbital Projections, Atomic Charges, and Chemical Bonding Analysis from Projector-Augmented-Wave-Based DFT

Ryky Nelson, Christina Ertural, Janine George, Volker Deringer, Geoffroy Hautier, Richard Dronskowski

Version 1 posted 25 March 2020

2,616

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