Article ID Journal Published Year Pages File Type
1562566 Computational Materials Science 2010 7 Pages PDF
Abstract

This paper shows how different lengths, terminations and electronic spin states of one-dimensional chains of Cu–O affected the shieldings in copper nuclear magnetic resonance signals. The calculation was performed for both periodic structure and model clusters of different size and shape. The obtained results showed that there was relatively large splitting of 63Cu resonance for each copper position in the chain.

Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
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