Adsorption of hydrogen molecule on alkali metal-decorated hydrogen boride nanotubes: A DFT study

2021 ◽  
Author(s):  
Nontawat Ploysongsri ◽  
Viwat Vchirawongkwin ◽  
Vithaya Ruangpornvisuti
Keyword(s):  
Alkali Metal ◽  
Hydrogen Molecule ◽  
Dft Study ◽  
Adsorption Of Hydrogen

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.

Electronic states of alkali metal-NTCDA complexes: A DFT study

2015 ◽  
Vol 48 ◽  
pp. 141-146 ◽  
Author(s):  
Hiroto Tachikawa ◽  
Hiroshi Kawabata
Keyword(s):  
Alkali Metal ◽  
Electronic States ◽  
Dft Study

DFT Study for a Series of Less-Symmetrical Crown Ethers and Their Complexes with Alkali Metal Cations

2010 ◽  
Vol 28 (10) ◽  
pp. 1835-1843 ◽  
Author(s):  
Yuan Miao ◽  
Xueye Wang ◽  
Xin Jin ◽  
Ling Yi ◽  
Cuihuan Ren
Keyword(s):  
Alkali Metal ◽  
Crown Ethers ◽  
Metal Cations ◽  
Dft Study ◽  
Alkali Metal Cations
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