Comparative analysis of complexation of pesticides (fenitrothion, methylparathion, parathion) and their carboxylic ester analogues by β-cyclodextrin : Theoretical semiempirical calculations

The complexation by β-cyclodextrin (β-CD) of three organophosphorus pesticides, fenitrothion, parathion and methylparathion, and of their carboxylic ester analogues was analyzed using PM3 and molecular mechanics methods. The objective was to elucidate structural features and energy changes that acco...

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Detalles Bibliográficos
Autores principales:	Coscarello, Ethel Noemí, Barbiric, Dora Ana Josefina, Castro, Eduardo Alberto, Vico, Raquel, Bujánm, E. I., Rossi, R. H. de
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2009
Materias:	Química supramolecular complexes E-cyclodextrin inclusion compounds semiempirical calculations pesticides
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/147358
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

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