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)

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)

© 2022 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 44(2023), 3 vom: 30. Jan., Seite 319-328
1. Verfasser: Raßpe-Lange, Lukas (VerfasserIn)
Weitere Verfasser: Hoffmann, Alexander, Gertig, Christoph, Heck, Joshua, Leonhard, Kai, Herres-Pawlis, Sonja
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't DFT copper guanidines redox potentials semi-empirical tight-binding Copper 789U1901C5 Guanidine mehr... JU58VJ6Y3B Quinolines
Online verfügbar Volltext