| Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits | Journal of Chemical Physics | 2005 | 658 |
| Approximate treatment of higher excitations in coupled-cluster theory | Journal of Chemical Physics | 2005 | 293 |
| From model compounds to extended pi-conjugated systems: synthesis and properties of dithieno[3,2-b:2',3'-d]phospholes | Chemistry - A European Journal | 2005 | 154 |
| Essential oil composition and antimicrobial activity of Origanum majorana L. extracts obtained with ethyl alcohol and supercritical carbon dioxide | Food Research International | 2005 | 132 |
| Influence of drying on the morphology of resorcinol–formaldehyde-based carbon gels | Microporous and Mesoporous Materials | 2005 | 132 |
| The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds | Chemistry - A European Journal | 2005 | 124 |
| Friedel-Crafts-type mechanism for the enzymatic elimination of ammonia from histidine and phenylalanine | Angewandte Chemie - International Edition | 2005 | 104 |
| Smart composites with controlled anisotropy | Polymer | 2005 | 98 |
| Adsorption from aqueous phenol and aniline solutions on activated carbons with different surface chemistry | Colloids and Surfaces A: Physicochemical and Engineering Aspects | 2005 | 80 |
| Control of pore formation in macroporous polymers synthesized by single-step γ-radiation-initiated polymerization and cross-linking | Polymer | 2005 | 74 |
| A novel polymeric membrane electrode for the potentiometric analysis of Cu2+ in drinking water | Analytica Chimica Acta | 2005 | 64 |
| Energies of organic molecules and atoms in density functional theory | International Journal of Quantum Chemistry | 2005 | 62 |
| Resolution of Enantiomers by Non-Conventional Methods | Synthesis | 2005 | 62 |
| Synthesis of d-mannose-based azacrown ethers and their application in enantioselective reactions | Tetrahedron: Asymmetry | 2005 | 53 |
| Characterization and adsorption properties of polymer-based microporous carbons with different surface chemistry | Microporous and Mesoporous Materials | 2005 | 48 |
| Flow injection analysis of carbofuran in foods using air stable lipid film based acetylcholinesterase biosensor | Analytica Chimica Acta | 2005 | 46 |
| Effect of the π-π stacking interaction on the acidity of phenol | Chemical Physics Letters | 2005 | 45 |
| Estimation, computation, and experimental correction of molecular zero-point vibrational energies | Journal of Physical Chemistry A | 2005 | 42 |
| Equation-of-motion coupled-cluster methods for ionized states with an approximate treatment of triple excitations | Journal of Chemical Physics | 2005 | 39 |
| Structure-Stability Study of Cyclodextrin Complexes with Selected Volatile Hydrocarbon Contaminants of Soils | Journal of Inclusion Phenomena and Macrocyclic Chemistry | 2005 | 37 |
| Cyclic bis(phosphanyl)carbenium ion by protonation of a 1,3-diphosphacyclobutane-2,4-diyl | Angewandte Chemie - International Edition | 2005 | 36 |
| Spectroelectrochemical microscopy: spatially resolved spectroelectrochemistry of carrier-based ion-selective membranes | Analytical Chemistry | 2005 | 35 |
| Synthesis and characterization of covalently immobilized bis-crown ether based potassium ionophore | Analyst, The | 2005 | 35 |
| Nanostructured silica Langmuir–Blodgett films with antireflective properties prepared on glass substrates | Thin Solid Films | 2005 | 35 |
| Enzymatische Eliminierung von Ammoniak aus Histidin und Phenylalanin: der Friedel-Crafts-ähnliche Mechanismus | Angewandte Chemie | 2005 | 35 |
