Publications by authors named "Patrick Eschenbach"

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Evolution of the ionisation energy with the stepwise growth of chiral clusters of [4]helicene.
Sérgio R Domingos, Denis S Tikhonov, Amanda L Steber, Patrick Eschenbach, Sebastien Gruet

Nat Commun· June 2024

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Reliable Isotropic Electron-Paramagnetic-Resonance Hyperfine Coupling Constants from the Frozen-Density Embedding Quasi-Diabatization Approach.
Patrick Eschenbach, Denis G Artiukhin, Johannes Neugebauer

J Phys Chem A· November 2022

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Subsystem density-functional theory: A reliable tool for spin-density based properties.
Patrick Eschenbach, Johannes Neugebauer

J Chem Phys· October 2022

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Multi-state formulation of the frozen-density embedding quasi-diabatization approach.
Patrick Eschenbach, Denis G Artiukhin, Johannes Neugebauer

J Chem Phys· November 2021

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Theoretical Assessment of Hinge-Type Models for Electron Donors in Reaction Centers of Photosystems I and II as well as of Purple Bacteria.
Denis G Artiukhin, Patrick Eschenbach, Jörg Matysik, Johannes Neugebauer

J Phys Chem B· April 2021

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Computational Investigation of the Spin-Density Asymmetry in Photosynthetic Reaction Center Models from First Principles.
Denis G Artiukhin, Patrick Eschenbach, Johannes Neugebauer

J Phys Chem B· June 2020

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