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New insights about electronic mechanism of electrocyclic reactions: theoretical study about stereoselectivity in cyclobutenes
This work presents the study of a series of electrocyclic reactions with the main aim of obtaining new insights into the reaction process along IRCs. The energy variation of the different reaction paths as well as the different transition states have been calculated. These trends are according to th...
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| Publicado no: | Heliyon |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8056243/ https://ncbi.nlm.nih.gov/pubmed/33898817 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2021.e06675 |
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