One electron changes the entire story: NMR versus pNMR

Permanent lenke
https://hdl.handle.net/10037/13335
DOI
https://doi.org/10.1063/1.5012295
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Åpne
Accepted manuscript version (PDF)
Dato
2017-11-28
Type
Journal article
Tidsskriftartikkel
Peer reviewed

Forfatter
Demissie, Taye Beyene
Sammendrag
11B NMR chemical shifts of structurally similar diamagnetic and paramagnetic molecules are obtained using four-component relativistic DFT calculations. The calculated chemical shifts of the diamagnetic molecules are compared with those of the paramagnetic molecules to get an insight on the influence of the unpaired electron on the 11B chemical shifts.
Beskrivelse
Accepted manuscript version. Published version available at https://doi.org/10.1063/1.5012295.
Forlag
AIP Publishing
Sitering
Demissie, T.B. (2017). One electron changes the entire story: NMR versus pNMR. AIP Conference Proceedings, 1906(030016). 10.1063/1.5012295
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