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The DFT study on racemisation of atropisomeric biaryls
The process of racemisation of atropisomeric biaryls was modelled by means of DFT calculations at an advanced B3LYP/6-31G* theoretical level. Thus, the detailed protocol of determination of the racemisation rate presented herein provides a practical prediction tool for elucidation of the configurati...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Growing Science
2015-09-01
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| Colecção: | Current Chemistry Letters |
| Assuntos: | |
| Acesso em linha: | http://www.growingscience.com/ccl/Vol4/ccl_2015_15.pdf |
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