Department of Chemistry

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Department of Chemistry at Aarhus University

Publications from the Department of Chemistry

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Schiøtt, B., Lie, M. A., Celik, L. & Jørgensen, K. A. (2005). Cofactor Activation and Substrate Binding in Pyruvate Decarboxylase. Insights into the Reaction Mechanism from Molecular Dynamics Simulations. Biochemistry, 44(45), 14792-14806.
Nielsen, N. C. (2005). Computational Aspects of Biological Solid-State NMR Spectroscopy. In NMR Spectroscopy of Biological Solids (pp. Chapter 11). Taylor & Francis.
Johnsen, S., Bentien, A., Madsen, G. K. H., Nygren, M. & Iversen, B. B. (2005). Copper Containing Germanium Clathrates. In ICT Proceedings (pp. 2211-2214)
Aidas, K., Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2005). Coupled cluster calculation of the n -›pi* electronic transition of acetone in aqueous solution. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109, 8001-8010.
Kongsted, J., Pedersen, T. B., Strange, M., Osted, A., Hansen, A. E., Mikkelsen, K. V., Pawlowski, F., Jørgensen, P. & Hättig, C. (2005). Coupled Cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution. Chemical Physics Letters, 401, 385-392.

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Revised 03.08.2026
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Department of Chemistry