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Inorganic Chemistry

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Angela F Harper

3 results in Authors: Angela F Harper

Theoretical and Computational Chemistry

Tracking Li atoms in real-time with ultra-fast NMR simulations

Angela F Harper, Tabea Huss, Simone S Köcher, Christoph Scheurer

Version 1 posted 16 April 2024

190

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1

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Theoretical and Computational Chemistry

Performance metrics for tensorial learning: prediction of Li4Ti5O12 nuclear magnetic resonance observables at experimental accuracy

Angela F Harper, Simone S Köcher, Karsten Reuter, Christoph Scheurer

Version 1 posted 26 April 2024

142

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1

Citations

Theoretical and Computational Chemistry

Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina

Angela F Harper, Steffen P Emge, Pieter C M M Magusin, Clare P Grey, Andrew J Morris

Version 2 posted 02 August 2022

725

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