Role of oxygen functional groups in Pb2+ adsorption from aqueous solution on carbonaceous surface: A density functional theory study

2020 ◽  
pp. 124221
Author(s):  
Ning Xie ◽  
Haiming Wang ◽  
Changfu You
Keyword(s):  
Aqueous Solution ◽  
Density Functional Theory ◽  
Functional Groups ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Oxygen Functional Groups

Density Functional Theory Study of Uranium(VI) Aquo Chloro Complexes in Aqueous Solution

2008 ◽  
Vol 112 (11) ◽  
pp. 2428-2436 ◽  
Author(s):  
Michael Bühl ◽  
Nicolas Sieffert ◽  
Volodymyr Golubnychiy ◽  
Georges Wipff
Keyword(s):  
Aqueous Solution ◽  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Chloro Complexes

Density Functional Theory Study of the Role of an Carbon–Oxygen Single Bond Group in the NO–Char Reaction

2018 ◽  
Vol 32 (7) ◽  
pp. 7734-7744 ◽  
Author(s):  
Tong Zhao ◽  
Wenli Song ◽  
Chuigang Fan ◽  
Songgeng Li ◽  
Peter Glarborg ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Single Bond ◽  
Density Functional Theory Study ◽  
Functional Theory

The role of catalysts in the decomposition of phenoxy compounds in coal: A density functional theory study

2018 ◽  
Vol 428 ◽  
pp. 541-548 ◽  
Author(s):  
Jiang-Tao Liu ◽  
Ming-Fei Wang ◽  
Zhi-Hua Gao ◽  
Zhi-Jun Zuo ◽  
Wei Huang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
Sign in / Sign up

Export Citation Format

Share Document