A protocol to evaluate one electron redox potential for iron complexes
Author:
Affiliation:
1. Department of Chemistry; KAIST; Daejeon; 305-701; Korea
2. Battery Group, Energy Lab, Samsung Advanced Institute of Technology; Samsung Electronics; Giheung-gu; Yongin-si; Gyeonggi-do; 446-712; Korea
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23380/fullpdf
Reference44 articles.
1. Hydration of Copper(II): New Insights from Density Functional Theory and the COSMO Solvation Model
2. Calculation of One-Electron Redox Potentials Revisited. Is It Possible to Calculate Accurate Potentials with Density Functional Methods?
3. Calculation of Redox Potentials and pKa Values of Hydrated Transition Metal Cations by a Combined Density Functional and Continuum Dielectric Theory
4. Computing Redox Potentials in Solution: Density Functional Theory as A Tool for Rational Design of Redox Agents
5. Density Functional and Reduction Potential Calculations of Fe4S4 Clusters
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