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

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.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000E-EDB9-7 Version Permalink: https://hdl.handle.net/21.11116/0000-000E-EDBA-6

Genre: Journal Article

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Creators:
Kaupp, M.¹, Author
Rovira, C.¹, Author
Parrinello, M.¹, Author

Affiliations:
1Former Departments, Max Planck Institute for Solid State Research, Max Planck Society, ou_3370502

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Dates: Date issued: 2000

Publication Status: Issued

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Identifiers: eDoc: 181557
Other: 27147

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Title: The Journal of Physical Chemistry B

Source Genre: Journal

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Pages: - Volume / Issue: 104 Sequence Number: - Start / End Page: 5200 - 5208 Identifier: -