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Theoretical and Computational Chemistry

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Patrick Eschenbach

3 results in Authors: Patrick Eschenbach

Theoretical and Computational Chemistry

Massively Parallel Fragment-Based Quantum Chemistry for Large Molecular Systems: The Serestipy Software

Patrick Eschenbach, Niklas Niemeyer, Johannes Neugebauer

Version 1 posted 09 September 2022

314

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Theoretical and Computational Chemistry

Theoretical Assessment of Hinge-Type Models for Electron Donors in Reaction Centers of Photosystems I and II as Well as of Purple Bacteria

Denis Artiukhin, Patrick Eschenbach, Jörg Matysik, Johannes Neugebauer

Version 1 posted 27 November 2020

428

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Theoretical and Computational Chemistry

Computational Investigation of the Spin-Density Asymmetry in Photosynthetic Reaction Center Models from First Principles

Denis Artiukhin, Patrick Eschenbach, Johannes Neugebauer

Version 2 posted 31 March 2020

748

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