Isomerization effects on chemical shifts and spin-spin coupling constants of polyacetylene chains: A GIAO-DFT study.
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| Title: | Isomerization effects on chemical shifts and spin-spin coupling constants of polyacetylene chains: A GIAO-DFT study. |
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| Authors: | Colherinhas, G.1 (AUTHOR), Fonseca, T. L.1 (AUTHOR) tertius@if.ufg.br, Georg, H. C.1 (AUTHOR), Castro, M. A.1 (AUTHOR) |
| Source: | International Journal of Quantum Chemistry. 2011, Vol. 111 Issue 7/8, p1616-1625. 10p. 2 Diagrams, 3 Charts, 4 Graphs. |
| Database: | Academic Search Ultimate |
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| ISSN: | 00207608 |
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| DOI: | 10.1002/qua.22672 |
