Molecular Statics Calculations of Acid-Base Reactions on Magnetite(001)

September 1, 2001

Conference Paper

Molecular Statics Calculations of Acid-Base Reactions on Magnetite(001)

Abstract

Gas phase proton affinities and acidities are calculated for surface oxygen sites on the hydroxylated magnetite (001) surface.

Revised: May 3, 2004 | Published: September 1, 2001

Citation

Rustad J.R., and A.R. Felmy. 2001. Molecular Statics Calculations of Acid-Base Reactions on Magnetite(001). In Solid-Liquid Interface Theory, edited by J. Woods Halley, 789, 113-123. Washington Dc, District Of Columbia:American Chemical Society. PNNL-SA-32905.