Density functional study of 17O NMR chemical shift and nuclear quadrupole 
coupling tensors in oxyheme model complexes

Kaupp, M.; Rovira, C.; Parrinello, M.

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Density functional study of ¹⁷O NMR chemical shift and nuclear quadrupole coupling tensors in oxyheme model complexes

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Kaupp, M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Rovira, C.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Parrinello, M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Kaupp, M., Rovira, C., & Parrinello, M. (2000). Density functional study of ¹⁷O NMR chemical shift and nuclear quadrupole coupling tensors in oxyheme model complexes. The Journal of Physical Chemistry B, 104, 5200-5208.

Cite as: https://hdl.handle.net/21.11116/0000-000E-EDB9-7

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