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Theoretical and Computational Chemistry

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Denis Artiukhin

3 results in Authors: Denis Artiukhin

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

New capabilities of the gmx2qmmm software

Florian Anders, Alina Jansen, Nicola Alnicola, Yuan-Wei Pi, Simon Petry, Jan-Oliver Kapp-Joswig, Denis G. Artiukhin, Jan Philipp Götze

Version 1 posted 15 October 2024

216

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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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