ELECTROPHILIC AND NUCLEOPHILIC CHEMICAL REACTIVITY OF NEUTRAL AND ANIONIC FORMS OF 4-CPA, 24D-CPA, 34-CPA AND 245T-CPA THROUGH CONCEPTUAL DFT REACTIVITY DESCRIPTORS
In the present work, we have analyzed the electrophilic and nucleophilic chemical reactivity of the neutral and anionic chlorophenoxyacetic acid herbicides, 4-CPA, 24D-CPA, 34-CPA and 245T-CPA at the X/6-311++G(2d,2p) level of theory (where X= wB97XD, MPW91B1K and MP2). Chemical reactivity was analy...
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| Autores principales: | , , , , |
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2017
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| Materias: | |
| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000100022 |
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