Accurate Coulomb-fitting basis sets for H to Rn | Physical Chemistry Chemical Physics | 2006 | 3.7K |
Influence of the exchange screening parameter on the performance of screened hybrid functionals | Journal of Chemical Physics | 2006 | 3.6K |
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions | Journal of Chemical Physics | 2006 | 3.6K |
Advances in methods and algorithms in a modern quantum chemistry program package | Physical Chemistry Chemical Physics | 2006 | 2.4K |
Semiempirical hybrid density functional with perturbative second-order correlation | Journal of Chemical Physics | 2006 | 2.3K |
Sorting carbon nanotubes by electronic structure using density differentiation | Nature Nanotechnology | 2006 | 1.9K |
Crystal structure prediction using ab initio evolutionary techniques: principles and applications | Journal of Chemical Physics | 2006 | 1.7K |
Screened hybrid density functionals applied to solids | Journal of Chemical Physics | 2006 | 1.6K |
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs | Physical Chemistry Chemical Physics | 2006 | 1.5K |
Assessment of a long-range corrected hybrid functional | Journal of Chemical Physics | 2006 | 1.4K |
Making molecular machines work | Nature Nanotechnology | 2006 | 1.2K |
Optical Hyperlens: Far-field imaging beyond the diffraction limit | Optics Express | 2006 | 1.1K |
Electron transport in molecular junctions | Nature Nanotechnology | 2006 | 1.1K |
Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model | Journal of Chemical Physics | 2006 | 989 |
Atmospheric pressure plasmas: A review | Spectrochimica Acta, Part B: Atomic Spectroscopy | 2006 | 960 |
A simple effective potential for exchange | Journal of Chemical Physics | 2006 | 958 |
Air and water stable ionic liquids in physical chemistry | Physical Chemistry Chemical Physics | 2006 | 956 |
Oriented attachment and mesocrystals: non-classical crystallization mechanisms based on nanoparticle assembly | Physical Chemistry Chemical Physics | 2006 | 943 |
Silicon Photonics | Journal of Lightwave Technology | 2006 | 933 |
Review of passive imaging polarimetry for remote sensing applications | Applied Optics | 2006 | 824 |
Electrically pumped hybrid AlGaInAs-silicon evanescent laser | Optics Express | 2006 | 807 |
DeerAnalysis2006—a comprehensive software package for analyzing pulsed ELDOR data | Applied Magnetic Resonance | 2006 | 803 |
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals | Journal of Chemical Physics | 2006 | 747 |