First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate

Title
First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 116, Issue 24, Pages 7269-7280
Publisher
American Chemical Society (ACS)
Online
2012-04-13
DOI
10.1021/jp301925k

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