| Towards extending the applicability of density functional theory to weakly bound systems X Wu, MC Vargas, S Nayak, V Lotrich, G Scoles The Journal of Chemical Physics 115 (19), 8748-8757, 2001 | 750 | 2001 |
| A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters X Wu, L Senapati, SK Nayak, A Selloni, M Hajaligol The Journal of chemical physics 117 (8), 4010-4015, 2002 | 253 | 2002 |
| Oxygen vacancy mediated adsorption and reactions of molecular oxygen on the TiO 2 (110) surface X Wu, A Selloni, M Lazzeri, SK Nayak Physical Review B 68 (24), 241402, 2003 | 142 | 2003 |
| First principles study of CO oxidation on TiO2 (110): The role of surface oxygen vacancies X Wu, A Selloni, SK Nayak The Journal of chemical physics 120 (9), 4512-4516, 2004 | 113 | 2004 |
| Density-functional study of water adsorption on the PuO 2 (110) surface X Wu, AK Ray Physical Review B 65 (8), 085403, 2002 | 112 | 2002 |
| A density functional study of small neutral and cationic vanadium clusters and X Wu, AK Ray The Journal of chemical physics 110 (5), 2437-2445, 1999 | 79 | 1999 |
| Full-potential LAPW electronic structure study of - plutonium and the (001) surface X Wu, AK Ray Physical Review B—Condensed Matter and Materials Physics 72 (4), 045115, 2005 | 33 | 2005 |
| A density functional study of plutonium dioxide X Wu, AK Ray The European Physical Journal B-Condensed Matter and Complex Systems 19, 345-351, 2001 | 31 | 2001 |
| A hybrid-density functional cluster study of the bulk and surface electronic structures of PuO2 X Wu, AK Ray Physica B: Condensed Matter 301 (3-4), 359-369, 2001 | 20 | 2001 |
| A hybrid density functional cluster study of the bulk and surface electronic structures of plutonium monoxide X Wu, AK Ray Physica B: Condensed Matter 293 (3-4), 362-375, 2001 | 20 | 2001 |
| An ab initio study of the use of Ag2− for catalytic oxidation of CO PP Dholabhai, X Wu, AK Ray Journal of Molecular Structure: THEOCHEM 723 (1-3), 139-145, 2005 | 15 | 2005 |
| Density-functional theory applied to d-and f-electron systems X Wu The University of Texas at Arlington, 2001 | 13 | 2001 |
| Sin clusters: Surface energy considerations for large n and all‐electron Hartree–Fock calculations for n=45 NH March, DJ Klein, AK Ray, X Wu International journal of quantum chemistry 75 (4‐5), 829-838, 1999 | 5 | 1999 |
| O-Vacancy mediated adsorption and reactions of molecular oxygen on the TiO2 (100) surface X Wu, A Selloni, SK Nayak APS March Meeting Abstracts 2004, W33. 009, 2004 | | 2004 |
| Oxygen vacancy mediated O2 adsorption and CO oxidation on the rutile TiO2 (110) surface X Wu, A Selloni, M Lazzeri, S Nayak APS March Meeting Abstracts 2003, N12. 014, 2003 | | 2003 |
| RAPID COMMUNICATIONS-Surface physics, low-dimensional systems, and related topics-Oxygen vacancy mediated adsorption and reactions of molecular oxygen on the TiO2 (110) surface X Wu, A Selloni, M Lazzeri, SK Nayak Physical Review-Section B-Condensed Matter 68 (24), 241402R, 2003 | | 2003 |
| Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry-A density functional study of small neutral and cationic vanadium … X Wu, AK Ray Journal of Chemical Physics 110 (5), 2437-2445, 1999 | | 1999 |
