A. Saeed, B. (2011). Correlation Study of the Biological Activity of Sulfa Drugs and Theoretical Calculation NMR Spectra of the Parent Anilines. , 11(3), 1-4.
Bahjat A. Saeed. "Correlation Study of the Biological Activity of Sulfa Drugs and Theoretical Calculation NMR Spectra of the Parent Anilines". , 11, 3, 2011, 1-4.
A. Saeed, B. (2011). 'Correlation Study of the Biological Activity of Sulfa Drugs and Theoretical Calculation NMR Spectra of the Parent Anilines', , 11(3), pp. 1-4.
A. Saeed, B. Correlation Study of the Biological Activity of Sulfa Drugs and Theoretical Calculation NMR Spectra of the Parent Anilines. , 2011; 11(3): 1-4.

Correlation Study of the Biological Activity of Sulfa Drugs and Theoretical Calculation NMR Spectra of the Parent Anilines

journal of al-qadisiyah for pure science(quarterly)
Article 1, Volume 11, Issue 3, 2011, Pages 1-4    PDF (0 K)
Author
Bahjat A. Saeed
Abstract
Isotropic 1H, 13C and 14N nuclear magnetic shielding constants of anilines that used to synthesize sulfa drugs were calculated. The geometry of each compound has been optimized using 6-31G(d,p) and B3lyp/6-31G(d,p) basis sets at levels HF and DFT. The optimized geometries were used to estimate the chemical shifts which then correlated with biological activity of the drugs against bacteria.
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