Jensen, V. R.; Koley, D.; Jagadeesh, M. N.; Thiel, W. DFT investigation of the single-center, two-state model for the broken rate order of transition metal catalyzed olefin polymerization. Macromolecules 2005, 38, 10266–10278.

Kaskel, S.; Chaplais, G.; Schlichte, K. Synthesis, Characterization, and Catalytic Properties of High-Surface-Area Aluminum Silicon Nitride Based Materials. Chemistry of Materials 2005, 17, 181–185.

Kästner, J.; Hemmen, S.; Blöchl, P. E. Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenase. Journal of Chemical Physics 2005, 123, 1–8.

Kästner, J.; Thiel, W. Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "umbrella integration". Journal of Chemical Physics 2005, 123, 144104.

Khan, A.; Hecht, S. Photocontrolling the helix-coil transition: azabenzene-containing foldamers. Polymer Preprints (American Chemical Society, Division of Polymer Chemistry) 2005, 46, 161–161.

Khan, A.; Müller, S.; Hecht, S. Practical synthesis of an amphiphilic, non-ionic poly(paraphenyleneethynylene) derivative with a remarkable quantum yield in water. Chemical Communications (Cambridge, U. K.) 2005, Nr. 5, 584–586.

Khandogin, J.; Gregersen, B. A.; Thiel, W.; York, D. M. Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation. Journal of Physical Chemistry B 2005, 109, 9799–9809.

Kimmel, J. R.; Yoon, O. K.; Zuleta, I. A.; Trapp, O.; Zare, R. N. Peak Height Precision in Hadamard Transform Time-of-Flight Mass Spectra. Journal of the American Society for Mass Spectrometry 2005, 16, 1117–1130.

Kinge, S.; Bönnemann, H. Optimization of colloidal nanoparticle synthesis via NR₄(BEt₃H) reduction. Applied Organometallic Chemistry 2005, 19, 750–758.

Kirchhoff, M.; Specht, U.; Veser, G. Engineering high-temperature stable nanocomposite materials. Nanotechnology 2005, 16, S401–S408.

Koch, O.; Bocola, M.; Klebe, G. Cooperative Effects in Hydrogen-Bonding of Protein Secondary Structure Elements: A Systematic Analysis of Crystal Data Using Secbase. Proteins:Structure, Function, and Bioinformatics 2005, 61, 310–317.

Konjhodzic, D.; Bretinger, H.; Wilczok, U.; Dreier, A.; Ladenburger, A.; Schmidt, M.; Eich, M.; Marlow, F. Low-n mesoporous silica films: structure and properties. Applied Physics A-Materials Science & Processing 2005, 81, 425–432.

Kornatowski, J. Adsorption isotherms of water as a tool for characterization of metal substituted aluminophosphate molecular sieves. Comptes Rendus Chimie 2005, 8, 561–568.

Kornatowski, J. Expressiveness of adsorption measurements for characterization of zeolitic materials - A review. Adsorption-Journal of the International Adsorption Society 2005, 11, 275–293.

Kornatowski, J. Expressiveness of Adsorption Measurement for Characterization of Zeolitic Materials - A Review. Adsorption-Journal of the International Adsorption Society 2005, 11, 275–293.

Kubanek, P.; Schmidt, H.-W.; Spliethoff, B.; Schüth, F. Parallel IR spectroscopic characterization of CO chemisorption on Pt loaded zeolites. Microporous and Mesoporous Materials 2005, 77, 89–96.

Kubik, S.; Goddard, R.; Otto, S.; Pohl, S.; Reyheller, C.; Stüwe, S. Optimization of the binding properties of a synthetic anion receptor using rational and combinatorial strategies. Biosensors & Bioelectronics 2005, 20, 2364–2375.

Kumar, D.; Hirao, H.; de Visser, S. P.; Zheng, J.; Wang, D.; Thiel, W.; Shaik, S. New features in the catalytic cycle of cytochrome P450 during the formation of compound I from compound 0. Journal of Physical Chemistry B 2005, 109, 19946–19951.

Li, H.-L.; Dong, W.; Bongard, H.-J.; Marlow, F. Improved controllability of opal film growth using capillaries for the deposition process. Journal of Physical Chemistry B 2005, 109, 9939–9945.

Li, H.-L.; Marlow, F. Controlled arrangement of colloidal crystal strips. Chemistry of Materials 2005, 17, 3809–3811.