INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
A Theoretical Study of a Family of New Quinoxaline Derivatives
Autor/es:
A. ALBESA; P.R. DUCHOWICZ; H. CASTAÑETO; EDUARDO ALBERTO CASTRO; R. PIS DIEZ; F.M. FERNÁNDEZ
Revista:
J Mol Graphics Model
Referencias:
Año: 2006 vol. 25 p. 487 - 494
Resumen:
Hybrid Density Functional Theory (DFT) calculations are performed on a series of 21 new quinoxaline derivatives, which would likely exhibit important biological activities. Optimized geometries, harmonic vibrational frequencies, and 1H chemical shifts are reported and compared with available experimental data.
