Experimental data and optimised coordinates to the publication 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)

Object: Experimental and DFT optimised coordinates were deposited.

Cite this as

Raßpe-Lange, Lukas, Hoffmann, Alexander, Gertig, Christoph, Heck, Joshua, Leonhard, Kai, Herres-Pawlis, Sonja (2022). Dataset: Experimental data and optimised coordinates to the publication 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). https://doi.org/10.22000/593

DOI retrieved: 2022

Additional Info

Field Value
Imported on January 12, 2023
Last update November 28, 2024
License CC BY-NC-SA 4.0 Attribution-NonCommercial-ShareAlike
Source https://doi.org/10.22000/593
Author Raßpe-Lange, Lukas
Given Name Lukas
Family Name Raßpe-Lange
More Authors
Hoffmann, Alexander
Gertig, Christoph
Heck, Joshua
Leonhard, Kai
Herres-Pawlis, Sonja
Source Creation 2022
Publishers
RWTH Aachen University
Production Year 2021-2022
Publication Year 2022
Resource Type Dataset - Experimental and DFT optimised coordinates
Subject Areas
Name: Chemistry

Name: Engineering

Related Identifiers
Identifier: 10.1002/jcc.26927
Type: DOI
Relation: IsSupplementTo