Crossmark

Systematic investigation of DFT-GIAO <sup>15</sup>N NMR chemical shift prediction using B3LYP/cc-pVDZ: application to studies of regioisomers, tautomers, protonation states and N-oxides

Crossref DOI link: https://doi.org/10.1039/C6OB02450E

Published Online: 2017

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Xin, Dongyue

Sader, Charles Avery

Fischer, Udo

Wagner, Klaus

Jones, Paul-James

Xing, Minli

Fandrick, Keith R.

Gonnella, Nina C. https://orcid.org/0000-0001-8944-7180
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SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Nina C. Gonnella (ORCID)

COPYRIGHT AND LICENSING

: The Royal Society of Chemistry has an exclusive publication licence for this journal

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 9 November 2016; Accepted 23 December 2016; Advance Article published 4 January 2017; Version of Record published 25 January 2017

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