Density functional study of ion hydration for the alkali metal ions (Li+,Na+,K+) and the halide ions (F−,Br−,Cl−)

2006 ◽  
Vol 125 (5) ◽  
pp. 054305 ◽  
Author(s):  
Christian Krekeler ◽  
Berk Hess ◽  
Luigi Delle Site
Keyword(s):  
Alkali Metal ◽  
Metal Ions ◽  
Density Functional ◽  
Functional Study ◽  
Alkali Metal Ions ◽  
Halide Ions ◽  
Ion Hydration ◽  
Density Functional Study

The interaction of NOTA as a bifunctional chelator with competitive alkali metal ions: a DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (83) ◽  
pp. 79485-79496 ◽  
Author(s):  
F. Y. Adeowo ◽  
B. Honarparvar ◽  
A. A. Skelton
Keyword(s):  
Density Functional Theory ◽  
Alkali Metal ◽  
Metal Ions ◽  
Density Functional ◽  
Dft Study ◽  
Alkali Metal Ions ◽  
Functional Theory ◽  
Bifunctional Chelator

This work investigates NOTA–alkali metal (Li+, Na+ and K+ and Rb+) complexation using density functional theory.

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