Dataset: Unexpected NMR shieldings of sp- and sp2-hybridized carbon atoms in graphyne systems

Beskrivning

The input files for the calculation of the NMR schemical shifts of graphyne systems. Results originally published in an article Physical Chemistry Chemical Physics, 24, 25513-25521 (2022); DOI: 10.1039/D2CP03837D. Data are available upon request from the authors.

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Publiceringsår

2022

Typ av data

Upphovspersoner

Uleåborgs universitet

NMR-spektroskopia

Petr Stepanek - Upphovsperson, Utgivare

Projekt

Övriga uppgifter

Vetenskapsområden

Fysik; Kemi

Språk

Öppen tillgång

Öppet

Licens

Creative Commons Attribution 4.0 International (CC BY 4.0)

Nyckelord

NMR, quantum-chemical calculations, carbon nanomaterials, graphynes

Ämnesord

Temporal täckning

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