Expanding and Testing a Computational Method for Predicting the Ground State Reduction Potentials of Organic Molecules on the Basis of Empirical Correlation to Experiment-Reference-Cited by-同舟云学术

Expanding and Testing a Computational Method for Predicting the Ground State Reduction Potentials of Organic Molecules on the Basis of Empirical Correlation to Experiment

Published:2012-07-16 Issue:15 Volume:77 Page:6423-6430
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Lynch Eugene J.¹,Speelman Amy L.¹,Curry Bryce A.¹,Murillo Charles S.¹,Gillmore Jason G.¹

Affiliation:

1. Department of Chemistry, Hope College, 35 E. 12th Street, Holland, Michigan 49423, United States

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jo300853k

Reference31 articles.

1. Computational electrochemistry: aqueous one-electron oxidation potentials for substituted anilines

2. Computing Redox Potentials in Solution: Density Functional Theory as A Tool for Rational Design of Redox Agents

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

4. Efficient Computational Methods for Accurately Predicting Reduction Potentials of Organic Molecules

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