Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory

Modeling chemical reactions using Quantum Chemistry is a widely used predictive strategy capable to complement experiments in order to understand the intrinsic mechanisms guiding the chemicals towards the most favorable reaction products. However, at this purpose, it is mandatory to use reliable and...

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Detalles Bibliográficos
Autores principales: Loco, Daniele, Chataigner, Isabelle, Piquemal, Jean‐Philip, Spezia, Riccardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9796631/
https://www.ncbi.nlm.nih.gov/pubmed/35696652
http://dx.doi.org/10.1002/cphc.202200349

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9796631/
https://www.ncbi.nlm.nih.gov/pubmed/35696652
http://dx.doi.org/10.1002/cphc.202200349

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