| Scaling down the Perdew-Zunger self-interaction correction in many-electron regions | Journal of Chemical Physics | 2006 | 108 |
| An aromatic-antiaromatic switch in P-heteroles. A small change in delocalisation makes a big reactivity difference | Organic and Biomolecular Chemistry | 2006 | 60 |
| Stability of phosphinidenes--are they synthetically accessible? | Dalton Transactions | 2006 | 43 |
| From Silaallene to Cyclotrisilanylidene | Organometallics | 2006 | 38 |
| Synthesis and photoelectron spectroscopic studies of N(CH2CH2NMe)3P=E (E = O, S, NH, CH2) | Journal of the American Chemical Society | 2006 | 32 |
| On the Usefulness of Bond Orders and Overlap Populations to Chalcogen–Nitrogen Systems | European Journal of Inorganic Chemistry | 2006 | 16 |
| Formation of phosphaethyne dimers: a mechanistic study | Chemistry - A European Journal | 2006 | 14 |
| Preparation, thermoanalytical and IR study of mixed-ligand complexes formed in water-1,2-ethanediol-cobalt(II)sulfate systems | Journal of Thermal Analysis and Calorimetry | 2006 | 14 |
| Self-consistent real three-dimensional simulation of vertical-cavity surface-emitting lasers | Journal of the Optical Society of America B: Optical Physics | 2006 | 12 |
| Synthesis of new enantiopure proton-ionizable crown ethers containing a dialkylhydrogenphosphate moiety | Tetrahedron: Asymmetry | 2006 | 11 |
| Carbon protonation of 2,4,6-triaminopyrimidines: synthesis, NMR studies, and theoretical calculations | Journal of Organic Chemistry | 2006 | 10 |
| Rotational reorientation dynamics of ionic dye solutes in polar solvents with the application of a general model for the solvation shell | Chemical Physics | 2006 | 8 |
| Relationship between electrophilicity and spin-philicity of divalent and monovalent species of group 14 and 15 elements | Computational and Theoretical Chemistry | 2006 | 8 |
| Modelling extended systems containing siloxane building blocks | Computational and Theoretical Chemistry | 2006 | 7 |
