Computing pKAvalues of hexa-aqua transition metal complexes-Reference-Cited by-同舟云学术

Computing pKAvalues of hexa-aqua transition metal complexes

Published:2014-10-20 Issue:2 Volume:36 Page:69-78
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Galstyan Gegham¹,Knapp Ernst-Walter¹

Affiliation:

1. Department of Biology; Chemistry and Pharmacy; Institute of Chemistry and Biochemistry, Freie Universität Berlin; Fabeckstr. 36a D-14195 Berlin Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference55 articles.

1. Accurate pKa Determination for a Heterogeneous Group of Organic Molecules

2. One-Electron Reduction Potential for Oxygen- and Sulfur-Centered Organic Radicals in Protic and Aprotic Solvents

3. Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes*

4. Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å

5. PSII manganese cluster: Protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computations

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