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Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III) |
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| Authors: | Lukas Raßpe-Lange Alexander Hoffmann Christoph Gertig Joshua Heck Kai Leonhard Sonja Herres-Pawlis |
| Institution: | 1. Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany;2. Institute of Inorganic Chemistry, RWTH Aachen University, Aachen, Germany;3. Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany
Pharmaplan AG, Basel, Switzerland |
| Abstract: | |
| Keywords: | copper DFT guanidines redox potentials semi-empirical tight-binding |