27 citations · 41 across the 3 of their papers we have counts for
3 papers
cond-mat.stat-mech2008
Ion-dipole interactions are asymptotically unscreened by water in dipolar nanopores, yielding patterned ion distributions
Kevin Leung
The permeation, rejection, and transport of electrolytes in water-filled nanopores are critical to ion current gating and desalinalion processes in synthetic porous membranes and t…
cond-mat.mtrl-sci2007★ 27 cited
Energies of ions in water and nanopores within Density Functional Theory
Kevin Leung, Martijn Marsman
Accurate calculations of electrostatic potentials and treatment of substrate polarizability are critical for predicting the permeation of ions inside water-filled nanopores. The {\…
cond-mat.stat-mech2007★ 14 cited
Ab initio molecular dynamics study of manganese porphine hydration and interaction with nitric oxide
Kevin Leung, Craig J. Medforth
The authors use ab initio molecular dynamics and the density functional theory+U (DFT+U) method to compute the hydration environment of the manganese ion in manganese (II) and mang…