| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5219647 | Tetrahedron | 2011 | 7 Pages |
Abstract
B3LYP/6-31G(d), B3LYP/6-311++G(d,p), and CBS-QB3 calculations on the effect of CuCl on the azido/tetrazole isomerism have been performed. The cases of 2-azidopyridine and 2-azido-1H-imidazole have been selected as examples of heteroaromatic six- and five-membered rings. All minima and transition states have been characterized.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Fernando Blanco, Ibon Alkorta, José Elguero,