Dedicated to Professor Sylvio Canuto on the occasion of his 60th birthday.
Isomerization effects on chemical shifts and spin-spin coupling constants of polyacetylene chains: A GIAO-DFT study†
Article first published online: 2 JUN 2010
Copyright © 2010 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Special Issue Dedicated to Sylvio Canuto
Volume 111, Issue 7-8, pages 1616–1625, June - July 2011
How to Cite
Colherinhas, G., Fonseca, T. L., Georg, H. C. and Castro, M. A. (2011), Isomerization effects on chemical shifts and spin-spin coupling constants of polyacetylene chains: A GIAO-DFT study. Int. J. Quantum Chem., 111: 1616–1625. doi: 10.1002/qua.22672
- Issue published online: 28 MAR 2011
- Article first published online: 2 JUN 2010
- Manuscript Accepted: 15 FEB 2010
- Manuscript Received: 4 FEB 2010
- FAPEG/GO (Brazilian agencies)
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