Density functional theory study on the activation of molecular oxygen on a stepped gold surface in an aqueous environment: a new approach for simulating reactions in solution

2014 ◽  
Vol 16 (9) ◽  
pp. 4176 ◽  
Author(s):  
Jialong Liu ◽  
Xiao-Ming Cao ◽  
P. Hu
Keyword(s):  
Density Functional Theory ◽  
Molecular Oxygen ◽  
Density Functional ◽  
Gold Surface ◽  
Aqueous Environment ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
New Approach

scholarly journals Density functional theory study with and without COSMO of H2 SO4 reactions in an aqueous environment for metal extraction

2018 ◽  
Vol 40 (3) ◽  
pp. 591-606 ◽  
Author(s):  
Maria Johanna Ungerer ◽  
Cornelia Gertina Catharina Elizabet van Sittert ◽  
Derik Johannes van der Westhuizen ◽  
Henning Manfred Krieg
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Metal Extraction ◽  
Aqueous Environment ◽  
Density Functional Theory Study ◽  
Functional Theory

scholarly journals Density Functional Theory Study of Atomic and Molecular Oxygen Adsorption on Au Clusters

2011 ◽  
Vol 27 (05) ◽  
pp. 1068-1074 ◽  
Author(s):  
GUO Xiao-Wei ◽  
◽  
TENG Bo-Tao ◽  
YUAN Jin-Huan ◽  
ZHAO Yun ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Molecular Oxygen ◽  
Density Functional ◽  
Oxygen Adsorption ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Au Clusters
Sign in / Sign up

Export Citation Format

Share Document