TY  - BOOK
AU  - Heba Mohamed Fahmy Abdelhakim
AU  - Abdelfatah M . Badawi , 
AU  - Hussein M. A. Mustafa , 
TI  - Theoretical and experimental investigation of 1, 3 , 4, - thiadiazole derivatives and their biological activity / 
PY  - 2011///
CY  - Cairo : 
PB  - Heba Mohamed Fahmy Abdelhakim , 
KW  - DFT
KW  - Thiadiazole derivatives
KW  - UV spectra
N1  - Thesis (M.Sc.) - Cairo University - Faculty of Science - Department of Physical Chemistry; Issued also as CD
N2  - The present work presents a detailed and through investigation of the electronic structure spectra and biological activity of some 1,3,4,- thiadiazole derivatives . Full geometry optimizations were performed at the DFT  level of theory . The B3LYP  method has been adopted . The effect of substituent's of different electron - donating (accepting) stregths on the geometry and the electronic structural features of 1,3,4,- thiadiazole was examined
ER  -