Quantitative prediction of electronic absorption spectra of copper(II)–bioligand systems: Validation and applications-Reference-Cited by-同舟云学术

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Quantitative prediction of electronic absorption spectra of copper(II)–bioligand systems: Validation and applications

Published:2020-03 Issue: Volume:204 Page:110953
ISSN:0162-0134
Container-title:Journal of Inorganic Biochemistry
language:en
Short-container-title:Journal of Inorganic Biochemistry

Author:

Sciortino Giuseppe,Maréchal Jean-Didier,Fábián István,Lihi Norbert,Garribba Eugenio

Funder

Hungarian National Research, Development and Innovation Office

Regione Autonoma della Sardegna

Università di Sassari

Universitat Autònoma de Barcelona

EU

European Regional Development Fund

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Biochemistry

Reference122 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Time-dependent density-functional theory for molecules and molecular solids

3. Density-Functional Theory for Time-Dependent Systems

4. Modeling the Active Sites in Metalloenzymes. 3. Density Functional Calculations on Models for [Fe]-Hydrogenase: Structures and Vibrational Frequencies of the Observed Redox Forms and the Reaction Mechanism at the Diiron Active Center

5. Theory of chemical bonds in metalloenzymes I: Analytical and hybrid-DFT studies on oxo and hydroxo diiron cores

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