Geometrical benchmarking and analysis of redox potentials of copper(I/ <scp>II</scp> ) <scp>guanidine‐quinoline</scp> complexes: Comparison of semi‐empirical tight‐binding and <scp>DFT</scp> methods and the challenge of describing the entatic state (part <scp>III</scp> )-Reference-Cited by-同舟云学术

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 )

Published:2022-05-31 Issue:3 Volume:44 Page:319-328
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Raßpe‐Lange Lukas¹,Hoffmann Alexander²^ORCID,Gertig Christoph¹³,Heck Joshua²,Leonhard Kai¹,Herres‐Pawlis Sonja²^ORCID

Affiliation:

1. Institute of Technical Thermodynamics RWTH Aachen University Aachen Germany

2. Institute of Inorganic Chemistry RWTH Aachen University Aachen Germany

3. Pharmaplan AG Basel Switzerland

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26927

Reference76 articles.

1. Copper Active Sites in Biology

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4. Type-zero copper proteins

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