Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)-Reference-Cited by-同舟云学术

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Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)

Published:2014-09-25 Issue:29 Volume:35 Page:2146-2161
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Hoffmann Alexander¹,Rohrmüller Martin²,Jesser Anton¹,dos Santos Vieira Ines³,Schmidt Wolf Gero²,Herres-Pawlis Sonja¹

Affiliation:

1. Department Chemie; Ludwig-Maximilians-Universität München; Butenandtstr. 5-13 81377 München Germany

2. Lehrstuhl für Theoretische Physik; Universität Paderborn, Warburger Str. 100; 33095 Paderborn Germany

3. Fakultät Chemie und Chemische Biologie; Technische Universität Dortmund; 44227 Dortmund Germany

Funder

Deutsche Forschungsgemeinschaft

European Commission

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23740/fullpdf

Reference87 articles.

1. Photochemistry and Photophysics of Coordination Compounds: Copper

2. Copper Active Sites in Biology

3. Electronic Excited-State Engineering

4. The electronic properties and stereochemistry of mono-nuclear complexes of the copper(II) ion

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2. Quantifying flattening distortion on the thermodynamics and kinetics of electron transfers of Cu(i) photoredox catalysts;Inorganic Chemistry Frontiers;2024

3. Position of substituents directs the electron transfer properties of entatic state complexes: new insights from guanidine-quinoline copper complexes;Dalton Transactions;2024

4. Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and molecular docking approach;Journal of Molecular Liquids;2023-09

5. 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 );Journal of Computational Chemistry;2022-05-31

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