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

标题
First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 116, Issue 24, Pages 7269-7280
出版商
American Chemical Society (ACS)
发表日期
2012-04-13
DOI
10.1021/jp301925k

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