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First Principles Nuclear Magnetic Resonance Signatures Of Graphene Oxide

JOURNAL OF CHEMICAL PHYSICS, no. 3 (2010): 034502-034502

Cited: 58|Views26

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pubmed.ncbi.nlm.nih.gov academic.microsoft.com arxiv.org

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first principlenuclear magnetic resonancechemical shiftspectrum

Abstract

Nuclear magnetic resonance (NMR) has been widely used in graphene oxide (GO) structure studies. However, the detailed relationship between its spectroscopic features and the GO structural configuration remains elusive. Based on first principles C-13 chemical shift calculations using the gauge including projector augmented waves method, we...More

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