101 citations · 115 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2006★ 101 cited
Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields
Kevin Leung, Susan B. Rempe, Peter A. Schultz +4
We apply Density Functional Theory (DFT) and the DFT+U technique to study the adsorption of transition metal porphine molecules on atomistically flat Au(111) surfaces. DFT calculat…