Theoretical Characterization of Three 2,2-Diphenyl-1,3,2-oxazaborolidin-5-ones: Molecules with Fungicide Activities

doi:10.3390/M600

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Molbank 2009, 2009(2), M600; doi:10.3390/M600

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Theoretical Characterization of Three 2,2-Diphenyl-1,3,2-oxazaborolidin-5-ones: Molecules with Fungicide Activities

Martha Vilchis ^{1, 2, 3}, Benjamin Velasco ¹, Guillermo Penieres ¹, Tonatiuh Cruz ¹, René Miranda ¹ and Inés Nicolás ¹^,*

¹ -Departamentos de Ciencias Químicas y Ciencias Biológicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Estado de México, C.P. 54740, México ² Centro de Bachillerato Tecnológico y de Servicios 160-DGETI-SEP, Cuautitlán México, Estado de México, C.P. 54840, México ³ Departamento de Bioquímica y Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina-IPN, México D.F., C.P. 11340, México

* Author to whom correspondence should be addressed.

Received: 17 January 2009 / Accepted: 22 April 2009 / Published: 6 May 2009

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Abstract: In this study, a theoretical characterization for three 2,2-diphenyl-1,3,2-oxazaborolidin-5-ones was performed using Density Functional Theory. The analyzed molecules have antifungal activity, making them of particular interest.

Keywords: Oxazaborolidinones; DFT; B3LYP

Supplementary Files

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MDPI and ACS Style

Vilchis, M.; Velasco, B.; Penieres, G.; Cruz, T.; Miranda, R.; Nicolás, I. Theoretical Characterization of Three 2,2-Diphenyl-1,3,2-oxazaborolidin-5-ones: Molecules with Fungicide Activities. Molbank 2009, 2009, M600.

AMA Style

Vilchis M., Velasco B., Penieres G., Cruz T., Miranda R., Nicolás I. Theoretical Characterization of Three 2,2-Diphenyl-1,3,2-oxazaborolidin-5-ones: Molecules with Fungicide Activities. Molbank. 2009; 2009(2):M600.

Chicago/Turabian Style

Vilchis, Martha; Velasco, Benjamin; Penieres, Guillermo; Cruz, Tonatiuh; Miranda, René; Nicolás, Inés. 2009. "Theoretical Characterization of Three 2,2-Diphenyl-1,3,2-oxazaborolidin-5-ones: Molecules with Fungicide Activities." Molbank 2009, no. 2: M600.

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