| 1 |
Ab Initio Nonadiabatic Molecular Dynamics of Wet-Electrons on the TiO2 Surface
Fischer SA, Duncan WR, Prezhdo OV
Journal of the American Chemical Society, 131(42), 15483, 2009 |
| 2 |
Temperature independence of the photoinduced electron injection in dye-sensitized TiO2 rationalized by ab initio time-domain density functional theory
Duncan WR, Prezhdo OV
Journal of the American Chemical Society, 130(30), 9756, 2008 |
| 3 |
Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2
Duncan WR, Craig CF, Prezhdo OV
Journal of the American Chemical Society, 129(27), 8528, 2007 |
| 4 |
Electronic structure and spectra of catechol and alizarin in the gas phase and attached to titanium
Duncan WR, Prezhdo OV
Journal of Physical Chemistry B, 109(1), 365, 2005 |
| 5 |
Nonadiabatic molecular dynamics study of electron transfer from alizarin to the hydrated Ti4+ ion
Duncan WR, Prezhdo OV
Journal of Physical Chemistry B, 109(38), 17998, 2005 |
| 6 |
Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection across the alizarin-TiO2 interface
Duncan WR, Stier WM, Prezhdo OV
Journal of the American Chemical Society, 127(21), 7941, 2005 |
| 7 |
Thermally assisted sub-10 fs electron transfer in dye-sensitized nanocrystalline TiO2 solar cells
Stier W, Duncan WR, Prezhdo OV
Advanced Materials, 16(3), 240, 2004 |
| 8 |
Synthesis, Structure, and Properties of a Model for Galactose-Oxidase
Whittaker MM, Duncan WR, Whittaker JW
Inorganic Chemistry, 35(2), 382, 1996 |
