scholarly journals Reactivation pathway of the hydrogenase H-cluster: Density functional theory study

2007 ◽  
Vol 107 (5) ◽  
pp. 1248-1252 ◽  
Author(s):  
Stefan Motiu ◽  
Daniela Dogaru ◽  
Valentin Gogonea
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Cluster Density

Infrared Characterization of Hydroxyl Groups on MgO:  A Periodic and Cluster Density Functional Theory Study

2007 ◽  
Vol 129 (20) ◽  
pp. 6442-6452 ◽  
Author(s):  
Céline Chizallet ◽  
Guylène Costentin ◽  
Michel Che ◽  
Françoise Delbecq ◽  
Philippe Sautet
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hydroxyl Groups ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Cluster Density
Sign in / Sign up

Export Citation Format

Share Document