| Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics CF Craig, WR Duncan, OV Prezhdo Physical review letters 95 (16), 163001, 2005 | 711 | 2005 |
| Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO2 WR Duncan, OV Prezhdo Annu. Rev. Phys. Chem. 58, 143-184, 2007 | 657 | 2007 |
| Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection across the Alizarin−TiO2 Interface WR Duncan, WM Stier, OV Prezhdo Journal of the American Chemical Society 127 (21), 7941-7951, 2005 | 307 | 2005 |
| Time-Domain ab Initio Study of Charge Relaxation and Recombination in Dye-Sensitized TiO2 WR Duncan, CF Craig, OV Prezhdo Journal of the American Chemical Society 129 (27), 8528-8543, 2007 | 239 | 2007 |
| Electronic structure and spectra of catechol and alizarin in the gas phase and attached to titanium WR Duncan, OV Prezhdo The Journal of Physical Chemistry B 109 (1), 365-373, 2005 | 219 | 2005 |
| Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective OV Prezhdo, WR Duncan, VV Prezhdo Progress in Surface Science 84 (1-2), 30-68, 2009 | 209 | 2009 |
| Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping SA Fischer, BF Habenicht, AB Madrid, WR Duncan, OV Prezhdo The Journal of Chemical Physics 134 (2), 2011 | 202 | 2011 |
| Dynamics of the photoexcited electron at the chromophore–semiconductor interface OV Prezhdo, WR Duncan, VV Prezhdo Accounts of chemical research 41 (2), 339-348, 2008 | 168 | 2008 |
| Synthesis, structure, and properties of a model for galactose oxidase MM Whittaker, WR Duncan, JW Whittaker Inorganic chemistry 35 (2), 382-386, 1996 | 116 | 1996 |
| Temperature Independence of the Photoinduced Electron Injection in Dye-Sensitized TiO2 Rationalized by Ab Initio Time-Domain Density Functional Theory WR Duncan, OV Prezhdo Journal of the American Chemical Society 130 (30), 9756-9762, 2008 | 113 | 2008 |
| Thermally Assisted Sub‐10 fs Electron Transfer in Dye‐Sensitized Nanocrystalline TiO2 Solar Cells W Stier, WR Duncan, OV Prezhdo Advanced Materials 16 (3), 240-244, 2004 | 108 | 2004 |
| Ab Initio Nonadiabatic Molecular Dynamics of Wet-Electrons on the TiO2 Surface SA Fischer, WR Duncan, OV Prezhdo Journal of the American Chemical Society 131 (42), 15483-15491, 2009 | 107 | 2009 |
| Quantum dynamics of complex molecular systems DA Micha Springer 83, 165-194, 2007 | 74 | 2007 |
| Nonadiabatic Molecular Dynamics Study of Electron Transfer from Alizarin to the Hydrated Ti4+ Ion WR Duncan, OV Prezhdo The Journal of Physical Chemistry B 109 (38), 17998-18002, 2005 | 54 | 2005 |
| Ab initio molecular dynamics of ultrafast electron injection from molecular donors to the TiO2 acceptor W Stier, WR Duncan, OV Prezhdo Physical Chemistry of Interfaces and Nanomaterials II 5223, 132-146, 2003 | 8 | 2003 |
| Ab initio simulations of photoinduced molecule-semiconductor electron transfer WR Duncan, W Stier, OV Prezhdo Theoretical and Computational Chemistry 18, 275-300, 2007 | 6 | 2007 |
| Evaluation of the virtual screening performance and core-hopping potential of common pharmacophore hypotheses derived from phase's novel pharmacophore feature-based shape alignment M Repasky, S Dixon, E Mack, W Duncan, C Von Bargen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| PHYS 205-Time-domain ab initio studies of photoinduced electron transfer in the dye-sensitized semiconductor solar cell OV Prezhdo, WR Duncan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234, 2007 | | 2007 |
| Photoexcitation dynamics on the nanoscale OV Prezhdo, WR Duncan, CF Craig, SV Kilina, BF Habenicht Quantum Dynamics of Complex Molecular Systems, 5-30, 2007 | | 2007 |
| Electron Transfer at the Organic/inorganic Interface: A Nonadiabatic Molecular Dynamics Approach WR Duncan University of Washington, 2007 | | 2007 |
Oleg PrezhdoProfessor of Chemistry, and Physics and Astronomy, University of Southern CaliforniaVerified email at usc.edu
