Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1562566 | Computational Materials Science | 2010 | 7 Pages |
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
Authors
Hoang Nam Nhat, Pham The Tan,