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Theoretical and Computational Chemistry

Working Paper

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

380

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Theoretical and Computational Chemistry

Working Paper

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

708

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Theoretical and Computational Chemistry

Review

Subsystem Density-Functional Theory (Update)

Christoph Jacob, Johannes Neugebauer

Version 2 posted 08 December 2023

466

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Theoretical and Computational Chemistry

Working Paper

Automatic orbital pair selection for multi-level local coupled-cluster based on orbital maps

Lukas Lampe, Johannes Neugebauer

Version 2 posted 04 July 2024

247

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Catalysis

Working Paper

Light-Enabled Deracemization of Cyclopropanes by Al-Salen Photocatalysis

Carina Onneken, Tobias Morack, Olga Sokolova, Niklas Niemeyer, Christian Mück-Lichtenfeld, Constantin Daniliuc, Johannes Neugebauer, Ryan Gilmour

Version 1 posted 17 November 2022

1,563

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2

Citations

Theoretical and Computational Chemistry

Working Paper

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

276

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Catalysis

Working Paper

Enantioselective Energy Transfer-Enabled Cyclization using a Privileged Al-Salen Photocatalyst

Julia Soika, Carina Onneken, Thorben Wiegmann, Tobias Morack, Leander Lindfeld, Marian Hebenbrock, Christian Mück-Lichtenfeld, Johannes Neugebauer, Ryan Gilmour

Version 1 posted 07 October 2024

1,210

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Organic Chemistry

Working Paper

(Supra)molecular adaptation by coupled stimuli

Torsten Dünnebacke, Niklas Niemeyer, Sebastian Baumert, Sebastian Hochstädt, Lorenz Borsdorf, Michael Ryan Hansen, Johannes Neugebauer, Gustavo Fernández

Version 1 posted 18 December 2023

396

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1

Citations

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8 results in Johannes Neugebauer in Authors: Johannes Neugebauer

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

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

Subsystem Density-Functional Theory (Update)

Automatic orbital pair selection for multi-level local coupled-cluster based on orbital maps

Light-Enabled Deracemization of Cyclopropanes by Al-Salen Photocatalysis

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

Enantioselective Energy Transfer-Enabled Cyclization using a Privileged Al-Salen Photocatalyst

(Supra)molecular adaptation by coupled stimuli

8 results in Authors: Johannes Neugebauer