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Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity
Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical p...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273244/ https://www.ncbi.nlm.nih.gov/pubmed/27294896 http://dx.doi.org/10.3390/molecules21060748 |