| The Amber biomolecular simulation programs | Journal of Computational Chemistry | 2005 | 6.2K |
| Organic field-effect transistors from solution-deposited functionalized acenes with mobilities as high as 1 cm2/V x s | Journal of the American Chemical Society | 2005 | 687 |
| New approaches to the analysis of high connectivity materials: design frameworks based upon 4(4)- and 6(3)-subnet tectons | Accounts of Chemical Research | 2005 | 519 |
| Time-domain measurements of nanomagnet dynamics driven by spin-transfer torques | Science | 2005 | 448 |
| New trends in crystal engineering | CrystEngComm | 2005 | 397 |
| Catalytic nanomotors: remote-controlled autonomous movement of striped metallic nanorods | Angewandte Chemie - International Edition | 2005 | 390 |
| Al cluster superatoms as halogens in polyhalides and as alkaline earths in iodide salts | Science | 2005 | 378 |
| Motility of catalytic nanoparticles through self-generated forces | Chemistry - A European Journal | 2005 | 340 |
| Molecules in carbon nanotubes | Accounts of Chemical Research | 2005 | 281 |
| Increasing the conversion efficiency of dye-sensitized TiO2 photoelectrochemical cells by coupling to photonic crystals | Journal of Physical Chemistry B | 2005 | 263 |
| Well-defined (supra)molecular structures in zeolite methanol-to-olefin catalysis | Topics in Catalysis | 2005 | 213 |
| Effect of local environment on molecular conduction: isolated molecule versus self-assembled monolayer | Nano Letters | 2005 | 196 |
| Ionic liquids in vacuo; solution-phase X-ray photoelectron spectroscopy | Chemical Communications | 2005 | 193 |
| Dynamic microcompartmentation in synthetic cells | Proceedings of the National Academy of Sciences of the United States of America | 2005 | 192 |
| Comparison of the volatile organic compounds present in human odor using SPME-GC/MS | Journal of Chemical Ecology | 2005 | 184 |
| Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexes | Journal of Medicinal Chemistry | 2005 | 175 |
| Poly[bis(2,2,2-trifluoroethoxy)phosphazene] superhydrophobic nanofibers | Langmuir | 2005 | 175 |
| The salting-out effect and phase separation in aqueous solutions of electrolytes and poly(ethylene glycol) | Polymer | 2005 | 175 |
| Generalized and Facile Synthesis Approach to N-Doped Highly Graphitic Mesoporous Carbon Materials | Chemistry of Materials | 2005 | 174 |
| Highly enantioselective organocatalytic hydroxyalkylation of indoles with ethyl trifluoropyruvate | Angewandte Chemie - International Edition | 2005 | 169 |
| Dissipation in quasi-one-dimensional superconducting single-crystal Sn nanowires | Physical Review B | 2005 | 164 |
| Mechanism of Taurine: α-Ketoglutarate Dioxygenase (TauD) from Escherichia coli | European Journal of Inorganic Chemistry | 2005 | 159 |
| Anion control over interpenetration and framework topology in coordination networks based on homoleptic six-connected scandium nodes | Chemistry - A European Journal | 2005 | 155 |
| Modulation of the electronic structure and the Ni-Fe distance in heterobimetallic models for the active site in [NiFe]hydrogenase | Proceedings of the National Academy of Sciences of the United States of America | 2005 | 150 |
| Depth profiling of peptide films with TOF-SIMS and a C60 probe | Analytical Chemistry | 2005 | 150 |
