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

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: MENDOZA-HUIZAR,L. H, RIOS-REYES,C.H, ÁLVAREZ-ROMERO,G.A, PALOMAR-PARDAVÉ,M.E, RAMÍREZ-SILVA,M.T
Lenguaje:English
Publicado: Sociedad Chilena de Química 2017
Materias:
4-CPA
24D-CPA
34-CPA
245T-CPA
reactivity
Fukui
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000100022
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