Simulation of 59Co NMR chemical shifts in aqueous solution

Bühl, M.; Grigoleit, S.; Kabrede, H.; Mauschick, F. T.

doi:10.1002/chem.200500285

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Simulation of ⁵⁹Co NMR chemical shifts in aqueous solution

Bühl, M., Grigoleit, S., Kabrede, H., & Mauschick, F. T. (2006). Simulation of ⁵⁹Co NMR chemical shifts in aqueous solution. Chemistry-A European Journal, 12, 477-488. doi:10.1002/chem.200500285.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-92C7-A Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0023-C5AA-5

Genre: Journal Article

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Creators:
Bühl, M.¹, Author
Grigoleit, S.², Author
Kabrede, H.², Author
Mauschick, F. T.², Author

Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590
2Research Group Bühl, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445601

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Free keywords: density functional calculations; molecular dynamics; NMR spectroscopy; solvation effects; transition metals

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Language(s): eng - English

Dates: Date issued: 2006

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 265867
DOI: 10.1002/chem.200500285
ISI: 000234453300015

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Title: Chemistry-A European Journal

Alternative Title : Chem.-Eur. J.

Source Genre: Journal

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Pages: - Volume / Issue: 12 Sequence Number: - Start / End Page: 477 - 488 Identifier: ISSN: 0947-6539