An efficient ab initio DFT and PCM assessment of the potentiometric selectivity of a salophen type Schiff base

2014 ◽  
Vol 20 (6) ◽  
Author(s):  
Serkan Demir ◽  
Hakan Yilmaz ◽  
Maowulidan Dilimulati ◽  
Müberra Andaç
Keyword(s):  
Schiff Base ◽  
Ab Initio ◽  
Potentiometric Selectivity ◽  
Ab Initio Dft

scholarly journals Ab initio DFT study of ideal shear strength of polytypes of silicon carbide

2008 ◽  
Vol 40 (1) ◽  
pp. 2-6 ◽  
Author(s):  
Y. Umeno ◽  
Y. Kinoshita ◽  
T. Kitamura
Keyword(s):  
Silicon Carbide ◽  
Shear Strength ◽  
Ab Initio ◽  
Dft Study ◽  
Ab Initio Dft

Homopairing Possibilities of the DNA Bases Cytosine and Guanine:  An ab Initio DFT Study

2005 ◽  
Vol 109 (46) ◽  
pp. 22045-22052 ◽  
Author(s):  
R. E. A. Kelly ◽  
Y. J. Lee ◽  
L. N. Kantorovich
Keyword(s):  
Ab Initio ◽  
Dna Bases ◽  
Dft Study ◽  
Ab Initio Dft
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