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Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics

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The Electron Attachment Energy of the Aqueous Hydroxyl Radical Predicted from the Detachment Energy of the Aqueous Hydroxide Anion

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Modeling the electrified solid–liquid interface

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The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials

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Acidity constants from vertical energy gaps: density functional theory based molecular dynamics implementation

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Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

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TiO2 photocatalysis and related surface phenomena

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