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Publications from the Department of Chemistry

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Christiansen, O., Hättig, C. & Jørgensen, P. (1999). Ground and excited state polarizabilities and dipole transition properties of benzene from coupled cluster response theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 55(3), 509-524. https://doi.org/10.1016/S1386-1425(98)00259-5

Klopper, W., Bak, K. L., Jørgensen, P., Olsen, J. & Helgaker, T. (1999). Highly accurate calculations of molecular electronic structure. Journal of Physics B: Atomic, Molecular and Optical Physics, 32(13), Article R103. https://doi.org/10.1088/0953-4075/32/13/201

Vosegaard, T., Andersen, U. & Jakobsen, H. J. (1999). Improved ⁶⁷Zn Solid-State NMR from Single-Crystals. Zn(CH₃COO)₂^.2H₂O. Journal of the American Chemical Society, 121, 1970-1971.

Rasmussen, J. T., Hohwy, M., Jakobsen, H. J. & Nielsen, N. C. (1999). Magnitude; absolute orientation of ¹H chemical shielding tensors in polycrystalline powders. A ¹H CRAMPS NMR study of KH₂PO₄. Chemical Physics Letters, 314, 239-245.

Britz, D. & Johannsen, K. (1999). Matrix stability of the backward differentiation formula in electrochemical digital simulation. Computers & Chemistry, 23, 33-41.

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