The ionization potential of aqueous hydroxide computed using many-body perturbation theory

Solute–Solvent Charge-Transfer Excitations and Optical Absorption of Hydrated Hydroxide from Time-Dependent Density-Functional Theory

(2014) Daniel Opalka et al.   Journal of Chemical Theory and Computation

Probing the electronic structure of liquid water with many-body perturbation theory

(2014) T. Anh Pham et al.   PHYSICAL REVIEW B

Communication: Electronic structure of the solvated chloride anion from first principles molecular dynamics

(2013) Cui Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

GWcalculations using the spectral decomposition of the dielectric matrix: Verification, validation, and comparison of methods

(2013) T. Anh Pham et al.   PHYSICAL REVIEW B

Ab initioStudies of Ionization Potentials of Hydrated Hydroxide and Hydronium

(2013) Charles W. Swartz et al.   PHYSICAL REVIEW LETTERS

Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water

(2012) Christopher Adriaanse et al.   Journal of Physical Chemistry Letters

Alignment of electronic energy levels at electrochemical interfaces

(2012) Jun Cheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improving accuracy and efficiency of calculations of photoemission spectra within the many-body perturbation theory

(2012) Huy-Viet Nguyen et al.   PHYSICAL REVIEW B

The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode

(2011) Francesca Costanzo et al.   JOURNAL OF CHEMICAL PHYSICS

Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

(2010) Dominik Marx et al.   CHEMICAL REVIEWS

Behavior of hydroxide at the water/vapor interface

(2009) Bernd Winter et al.   CHEMICAL PHYSICS LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2009) Christopher Adriaanse et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dielectric Properties of Ice and Liquid Water from First-Principles Calculations

(2008) Deyu Lu et al.   PHYSICAL REVIEW LETTERS