An ab initio density functional study of the optical functions of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystals

2012 ◽  
Vol 95 ◽  
pp. 582-588 ◽  
Author(s):  
Ali H. Reshak ◽  
I.V. Kityk ◽  
R. Khenata ◽  
Y. Al-Douri ◽  
S. Auluck
Keyword(s):  
Carboxylic Acid ◽  
Ab Initio ◽  
Ethyl Ester ◽  
Density Functional ◽  
Acid Ethyl Ester ◽  
Functional Study ◽  
Density Functional Study ◽  
Optical Functions

Ab Initio and Density Functional Study of the Electronic Transitions of Indoline and Indoline-2-Carboxylic Acid

2003 ◽  
Vol 107 (30) ◽  
pp. 5670-5680 ◽  
Author(s):  
Brian D. Slaughter ◽  
Michael W. Allen ◽  
G. H. Lushington ◽  
Carey K. Johnson
Keyword(s):  
Carboxylic Acid ◽  
Ab Initio ◽  
Density Functional ◽  
Electronic Transitions ◽  
Functional Study ◽  
Density Functional Study

Ab-initio density functional study of defect-free and defective CdO

2005 ◽  
Vol 2 (10) ◽  
pp. 3548-3551 ◽  
Author(s):  
R. Ferro ◽  
J. A. Rodríguez ◽  
M. Verstraete ◽  
V. Solomko ◽  
P. Bertrand
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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