| The surface and materials science of tin oxide | Progress in Surface Science | 2005 | 1.9K |
| Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits | Journal of Chemical Physics | 2005 | 658 |
| Gas-phase-dependent properties of SnO2 (110), (100), and (101) single-crystal surfaces: Structure, composition, and electronic properties | Physical Review B | 2005 | 185 |
| Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface | Physical Review Letters | 2005 | 164 |
| Test of a nonempirical density functional: short-range part of the van der Waals interaction in rare-gas dimers | Journal of Chemical Physics | 2005 | 99 |
| Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics | Journal of Physical Chemistry A | 2005 | 79 |
| Pure and cobalt-doped SnO2(101) films grown by molecular beam epitaxy on Al2O3 | Thin Solid Films | 2005 | 76 |
| Energies of organic molecules and atoms in density functional theory | International Journal of Quantum Chemistry | 2005 | 62 |
| Phase transitions and quasi-dynamical symmetry in nuclear collective models, III: The U(5) to SU(3) phase transition in the IBM | Nuclear Physics A | 2005 | 58 |
| Growth of Copper on Single Crystalline ZnO: Surface Study of a Model Catalyst | Topics in Catalysis | 2005 | 56 |
| Nonempirical construction of current-density functionals from conventional density-functional approximations | Physical Review Letters | 2005 | 56 |
| Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules | Journal of Physical Chemistry A | 2005 | 53 |
| Estimation, computation, and experimental correction of molecular zero-point vibrational energies | Journal of Physical Chemistry A | 2005 | 42 |
| Mixed dissociated/molecular monolayer of water on the TiO2(011)-(2×1) surface | Surface Science | 2005 | 40 |
| Proper gaussian basis sets for density functional studies of water dimers and trimers | Journal of Physical Chemistry B | 2005 | 34 |
| Crystal growth of the new Sr2RuO4–Sr3Ru2O7 eutectic system by a floating-zone method | Journal of Crystal Growth | 2005 | 30 |
| First principles calculations of FePt, CoPt, Co/sub 3/Pt, and Fe/sub 3/Pt alloys | IEEE Transactions on Magnetics | 2005 | 29 |
| Explicit inclusion of paramagnetic current density in the exchange-correlation functionals of current-density functional theory | Physical Review B | 2005 | 26 |
| Electronic and magnetic properties of triple-layered ruthenate Sr4Ru3O10 single crystals grown by a floating-zone method | Materials Research Bulletin | 2005 | 23 |
| Online Monitoring of the Final, Divergent Growth Phase in the Step-Growth Polymerization of Polyamines | Macromolecules | 2005 | 15 |
| The structure of the world from pure numbers | Reports on Progress in Physics | 2005 | 12 |
| Dispersed Au atoms, supported on TiO2(1 1 0) | Surface Science | 2005 | 11 |
| Optimization of synthesis variables in the preparation of active sulfated zirconia catalysts | Catalysis Letters | 2005 | 10 |
| Correlation function bootstrapping in quantum chaotic systems | Physical Review E | 2005 | 8 |
| Scar intensity statistics in the position representation | Physical Review E | 2005 | 7 |
